 Entering Gaussian System, Link 0=g16
 Input=13_p-fenchone_STD_wB97XD-augccpVDZr.in
 Output=13_p-fenchone_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/13_p-fenchone_STD/Gau-186138.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/13_p-fenchone_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    186140.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=13_p-fenchone_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 23:12:48 2021, MaxMem= 17179869184 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "13_p-fenchone_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.256274000000     -0.193232000000      0.100473000000
  C                                                 1.349487000000      1.010756000000     -0.889322000000
  C                                                -0.013711000000     -0.924147000000     -0.323910000000
  O                                                -0.081470000000     -1.984998000000     -0.891809000000
  C                                                -1.211573000000     -0.047150000000      0.092965000000
  C                                                -0.469997000000      1.179899000000      0.694048000000
  C                                                 0.233116000000      1.981577000000     -0.416911000000
  C                                                 2.489674000000     -1.059953000000      0.182168000000
  H                                                 1.229251000000      0.690503000000     -1.924862000000
  H                                                 2.339697000000      1.460602000000     -0.802597000000
  C                                                -2.035714000000     -0.783936000000      1.160201000000
  C                                                -2.115356000000      0.237323000000     -1.107895000000
  C                                                 0.749179000000      0.522371000000      1.370549000000
  H                                                -1.107153000000      1.783001000000      1.340408000000
  H                                                 0.663977000000      2.891365000000      0.002850000000
  H                                                -0.435453000000      2.286350000000     -1.218901000000
  H                                                 2.359792000000     -1.859595000000      0.913309000000
  H                                                 3.360905000000     -0.468217000000      0.470414000000
  H                                                 2.694356000000     -1.528857000000     -0.781354000000
  H                                                -1.463296000000     -0.990162000000      2.063972000000
  H                                                -2.391668000000     -1.735344000000      0.764373000000
  H                                                -2.901737000000     -0.179918000000      1.439283000000
  H                                                -1.570895000000      0.659830000000     -1.951248000000
  H                                                -2.910306000000      0.933429000000     -0.830639000000
  H                                                -2.574732000000     -0.690743000000     -1.448265000000
  H                                                 0.501923000000     -0.165536000000      2.178308000000
  H                                                 1.468832000000      1.252232000000      1.745219000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 23:12:48 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256274   -0.193232    0.100473
      2          6           0        1.349487    1.010756   -0.889322
      3          6           0       -0.013711   -0.924147   -0.323910
      4          8           0       -0.081470   -1.984998   -0.891809
      5          6           0       -1.211573   -0.047150    0.092965
      6          6           0       -0.469997    1.179899    0.694048
      7          6           0        0.233116    1.981577   -0.416911
      8          6           0        2.489674   -1.059953    0.182168
      9          1           0        1.229251    0.690503   -1.924862
     10          1           0        2.339697    1.460602   -0.802597
     11          6           0       -2.035714   -0.783936    1.160201
     12          6           0       -2.115356    0.237323   -1.107895
     13          6           0        0.749179    0.522371    1.370549
     14          1           0       -1.107153    1.783001    1.340408
     15          1           0        0.663977    2.891365    0.002850
     16          1           0       -0.435453    2.286350   -1.218901
     17          1           0        2.359792   -1.859595    0.913309
     18          1           0        3.360905   -0.468217    0.470414
     19          1           0        2.694356   -1.528857   -0.781354
     20          1           0       -1.463296   -0.990162    2.063972
     21          1           0       -2.391668   -1.735344    0.764373
     22          1           0       -2.901737   -0.179918    1.439283
     23          1           0       -1.570895    0.659830   -1.951248
     24          1           0       -2.910306    0.933429   -0.830639
     25          1           0       -2.574732   -0.690743   -1.448265
     26          1           0        0.501923   -0.165536    2.178308
     27          1           0        1.468832    1.252232    1.745219
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.561400   0.000000
     3  C    1.525516   2.433485   0.000000
     4  O    2.446346   3.319968   1.205199   0.000000
     5  C    2.472178   2.939912   1.542006   2.449932   0.000000
     6  C    2.284257   2.417890   2.381480   3.561245   1.554633
     7  C    2.458522   1.553045   2.917671   4.007270   2.542210
     8  C    1.509687   2.595371   2.557635   2.935969   3.838353
     9  H    2.209909   1.090579   2.591350   3.153331   3.251673
    10  H    2.173593   1.091054   3.384479   4.212145   3.960665
    11  C    3.508438   4.345233   2.512119   3.077721   1.536572
    12  C    3.607412   3.556840   2.525976   3.020281   1.529645
    13  C    1.543479   2.388704   2.354911   3.477807   2.408552
    14  H    3.320952   3.406338   3.360687   4.498070   2.217311
    15  H    3.142465   2.191480   3.888980   5.013484   3.487217
    16  H    3.278874   2.218507   3.359489   4.298454   2.787217
    17  H    2.157596   3.536822   2.835364   3.038739   4.088101
    18  H    2.154517   2.842894   3.496692   4.000778   4.607312
    19  H    2.151649   2.875754   2.812216   2.815222   4.268041
    20  H    3.447678   4.542837   2.794215   3.411126   2.199433
    21  H    4.015763   4.926663   2.738080   2.853468   2.166428
    22  H    4.368254   4.991294   3.464595   4.079977   2.164914
    23  H    3.595853   3.127214   2.753549   3.214951   2.192656
    24  H    4.415509   4.260899   3.478164   4.064883   2.168011
    25  H    4.162056   4.313584   2.806685   2.863755   2.155877
    26  H    2.210704   3.392990   2.665045   3.616132   2.701618
    27  H    2.199940   2.648275   3.349008   4.453876   3.406304
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.539898   0.000000
     8  C    3.746813   3.834300   0.000000
     9  H    3.160007   2.221052   3.015350   0.000000
    10  H    3.195797   2.204054   2.710250   1.756594   0.000000
    11  C    2.554489   3.909339   4.638089   4.727746   5.294785
    12  C    2.615847   3.005861   4.955148   3.472636   4.630023
    13  C    1.541553   2.364448   2.635398   3.334437   2.851769
    14  H    1.089716   2.218992   4.728749   4.161048   4.071509
    15  H    2.166280   1.090667   4.356402   2.979833   2.346032
    16  H    2.210159   1.087685   4.660162   2.411711   2.925171
    17  H    4.158642   4.587683   1.091267   3.979490   3.737438
    18  H    4.176375   4.070860   1.091916   3.409388   2.526611
    19  H    4.418970   4.302751   1.090936   2.894771   3.010498
    20  H    2.751817   4.226562   4.378588   5.097572   5.355952
    21  H    3.492335   4.701109   4.962118   5.121306   5.920750
    22  H    2.884066   4.236133   5.605543   5.398163   5.932113
    23  H    2.912051   2.712132   4.898708   2.800438   4.153717
    24  H    2.887997   3.339294   5.844582   4.288621   5.276479
    25  H    3.538180   4.011109   5.333183   4.074957   5.403405
    26  H    2.226623   3.378981   2.955624   4.254152   3.861027
    27  H    2.206638   2.594946   2.971775   3.720542   2.700591
                   11         12         13         14         15
    11  C    0.000000
    12  C    2.488689   0.000000
    13  C    3.083231   3.798618   0.000000
    14  H    2.735665   3.065906   2.244118   0.000000
    15  H    4.704852   4.000298   2.736785   2.480813   0.000000
    16  H    4.200907   2.651963   3.349661   2.693437   1.751418
    17  H    4.531939   5.339408   2.911512   5.046843   5.126046
    18  H    5.449677   5.742672   2.934727   5.078229   4.333455
    19  H    5.167021   5.134136   3.552736   5.470078   4.927045
    20  H    1.089492   3.463039   2.768328   2.888047   4.882598
    21  H    1.090211   2.733706   3.915309   3.789531   5.596724
    22  H    1.092117   2.698259   3.718484   2.661458   4.920410
    23  H    3.461449   1.089125   4.054130   3.508785   3.713879
    24  H    2.770866   1.092419   4.290225   2.947300   4.159774
    25  H    2.665205   1.090039   4.523908   4.006232   5.042467
    26  H    2.803313   4.220376   1.089416   2.662330   3.755466
    27  H    4.095127   4.692196   1.091318   2.661069   2.523965
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.435860   0.000000
    18  H    4.985354   1.770400   0.000000
    19  H    4.954085   1.758751   1.770923   0.000000
    20  H    4.750710   4.086067   5.107325   5.066768   0.000000
    21  H    4.892257   4.755417   5.897806   5.319732   1.762421
    22  H    4.385314   5.548121   6.343698   6.169856   1.765175
    23  H    2.114504   5.477544   5.608885   4.934711   4.342355
    24  H    2.847111   6.214199   6.556328   6.121888   3.764680
    25  H    3.673174   5.593994   6.242006   5.376848   3.696045
    26  H    4.293186   2.814558   3.343994   3.927468   2.134284
    27  H    3.671745   3.342058   2.857449   3.952207   3.705038
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.770600   0.000000
    23  H    3.712832   3.737916   0.000000
    24  H    3.152047   2.528272   1.767666   0.000000
    25  H    2.453665   2.950561   1.756339   1.769748   0.000000
    26  H    3.582789   3.482997   4.693723   4.680256   4.784734
    27  H    4.979069   4.609395   4.822318   5.090533   5.506714
                   26         27
    26  H    0.000000
    27  H    1.769900   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.50D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256274   -0.193232    0.100473
      2          6           0        1.349487    1.010756   -0.889322
      3          6           0       -0.013711   -0.924147   -0.323910
      4          8           0       -0.081470   -1.984998   -0.891809
      5          6           0       -1.211573   -0.047150    0.092965
      6          6           0       -0.469997    1.179899    0.694048
      7          6           0        0.233116    1.981577   -0.416911
      8          6           0        2.489674   -1.059953    0.182168
      9          1           0        1.229251    0.690503   -1.924862
     10          1           0        2.339697    1.460602   -0.802597
     11          6           0       -2.035714   -0.783936    1.160201
     12          6           0       -2.115356    0.237323   -1.107895
     13          6           0        0.749179    0.522371    1.370549
     14          1           0       -1.107153    1.783001    1.340408
     15          1           0        0.663977    2.891365    0.002850
     16          1           0       -0.435453    2.286350   -1.218901
     17          1           0        2.359792   -1.859595    0.913309
     18          1           0        3.360905   -0.468217    0.470414
     19          1           0        2.694356   -1.528857   -0.781354
     20          1           0       -1.463296   -0.990162    2.063972
     21          1           0       -2.391668   -1.735344    0.764373
     22          1           0       -2.901737   -0.179918    1.439283
     23          1           0       -1.570895    0.659830   -1.951248
     24          1           0       -2.910306    0.933429   -0.830639
     25          1           0       -2.574732   -0.690743   -1.448265
     26          1           0        0.501923   -0.165536    2.178308
     27          1           0        1.468832    1.252232    1.745219
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5609830           1.1701666           0.9642173
 Leave Link  202 at Fri Jul  9 23:12:49 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      5      6      7      8     11     12     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       682.9977865711 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0232284299 Hartrees.
 Nuclear repulsion after empirical dispersion term =      682.9745581411 Hartrees.
 Leave Link  301 at Fri Jul  9 23:12:50 2021, MaxMem= 17179869184 cpu:              16.6 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  3.17D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Jul  9 23:12:51 2021, MaxMem= 17179869184 cpu:               5.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 23:12:51 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "13_p-fenchone_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 23:12:52 2021, MaxMem= 17179869184 cpu:               6.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179508935 LenY= 17179332933
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.846214837187    
 DIIS: error= 1.49D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.846214837187     IErMin= 1 ErrMin= 1.49D-03
 ErrMax= 1.49D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.02D-03 BMatP= 6.02D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.49D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 GapD=    0.372 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.76D-02 MaxDP=2.61D+00              OVMax= 1.26D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.61D-02    CP:  1.25D+00
 E= -465.850864787925     Delta-E=       -0.004649950738 Rises=F Damp=F
 DIIS: error= 2.01D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.850864787925     IErMin= 2 ErrMin= 2.01D-04
 ErrMax= 2.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.01D-05 BMatP= 6.02D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.01D-03
 Coeff-Com: -0.432D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.431D-01 0.104D+01
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.65D-03 MaxDP=4.46D-01 DE=-4.65D-03 OVMax= 4.17D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.03D-04    CP:  1.28D+00  1.14D+00
 E= -465.850932013821     Delta-E=       -0.000067225896 Rises=F Damp=F
 DIIS: error= 2.75D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.850932013821     IErMin= 2 ErrMin= 2.01D-04
 ErrMax= 2.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.23D-05 BMatP= 9.01D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.75D-03
 Coeff-Com: -0.352D-01 0.550D+00 0.485D+00
 Coeff-En:   0.000D+00 0.112D+00 0.888D+00
 Coeff:     -0.351D-01 0.549D+00 0.486D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.62D-04 MaxDP=2.00D-02 DE=-6.72D-05 OVMax= 1.72D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.12D-05    CP:  1.28D+00  1.15D+00  1.06D+00
 E= -465.850997523788     Delta-E=       -0.000065509967 Rises=F Damp=F
 DIIS: error= 6.74D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.850997523788     IErMin= 4 ErrMin= 6.74D-05
 ErrMax= 6.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.84D-06 BMatP= 9.01D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.367D-02-0.967D-02 0.170D+00 0.843D+00
 Coeff:     -0.367D-02-0.967D-02 0.170D+00 0.843D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.35D-04 MaxDP=1.58D-02 DE=-6.55D-05 OVMax= 5.79D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.21D-05    CP:  1.28D+00  1.15D+00  1.16D+00  1.25D+00
 E= -465.851001991187     Delta-E=       -0.000004467399 Rises=F Damp=F
 DIIS: error= 1.27D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.851001991187     IErMin= 5 ErrMin= 1.27D-05
 ErrMax= 1.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-07 BMatP= 4.84D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.137D-02-0.414D-01 0.123D-01 0.225D+00 0.803D+00
 Coeff:      0.137D-02-0.414D-01 0.123D-01 0.225D+00 0.803D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=2.90D-05 MaxDP=2.06D-03 DE=-4.47D-06 OVMax= 1.72D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.26D-05    CP:  1.28D+00  1.15D+00  1.18D+00  1.36D+00  1.23D+00
 E= -465.851002244248     Delta-E=       -0.000000253061 Rises=F Damp=F
 DIIS: error= 4.94D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.851002244248     IErMin= 6 ErrMin= 4.94D-06
 ErrMax= 4.94D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-08 BMatP= 2.23D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.686D-03-0.108D-01-0.761D-02 0.536D-02 0.266D+00 0.747D+00
 Coeff:      0.686D-03-0.108D-01-0.761D-02 0.536D-02 0.266D+00 0.747D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=5.85D-06 MaxDP=8.08D-04 DE=-2.53D-07 OVMax= 5.60D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.85D-06    CP:  1.28D+00  1.15D+00  1.18D+00  1.39D+00  1.30D+00
                    CP:  1.05D+00
 E= -465.851002274485     Delta-E=       -0.000000030238 Rises=F Damp=F
 DIIS: error= 1.03D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.851002274485     IErMin= 7 ErrMin= 1.03D-06
 ErrMax= 1.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-09 BMatP= 2.32D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.134D-04 0.139D-02-0.735D-03-0.156D-01-0.305D-01 0.925D-01
 Coeff-Com:  0.953D+00
 Coeff:     -0.134D-04 0.139D-02-0.735D-03-0.156D-01-0.305D-01 0.925D-01
 Coeff:      0.953D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=2.43D-06 MaxDP=3.66D-04 DE=-3.02D-08 OVMax= 2.19D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.11D-07    CP:  1.28D+00  1.15D+00  1.18D+00  1.39D+00  1.32D+00
                    CP:  1.11D+00  1.18D+00
 E= -465.851002276652     Delta-E=       -0.000000002166 Rises=F Damp=F
 DIIS: error= 3.59D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.851002276652     IErMin= 8 ErrMin= 3.59D-07
 ErrMax= 3.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-10 BMatP= 1.15D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.612D-04 0.137D-02 0.446D-03-0.640D-02-0.351D-01-0.337D-01
 Coeff-Com:  0.324D+00 0.750D+00
 Coeff:     -0.612D-04 0.137D-02 0.446D-03-0.640D-02-0.351D-01-0.337D-01
 Coeff:      0.324D+00 0.750D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=4.10D-07 MaxDP=4.49D-05 DE=-2.17D-09 OVMax= 6.40D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.33D-07    CP:  1.28D+00  1.15D+00  1.18D+00  1.39D+00  1.32D+00
                    CP:  1.12D+00  1.24D+00  1.12D+00
 E= -465.851002276899     Delta-E=       -0.000000000248 Rises=F Damp=F
 DIIS: error= 8.04D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.851002276899     IErMin= 9 ErrMin= 8.04D-08
 ErrMax= 8.04D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-11 BMatP= 1.72D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-04 0.242D-03 0.236D-03-0.195D-03-0.612D-02-0.163D-01
 Coeff-Com: -0.295D-03 0.185D+00 0.837D+00
 Coeff:     -0.154D-04 0.242D-03 0.236D-03-0.195D-03-0.612D-02-0.163D-01
 Coeff:     -0.295D-03 0.185D+00 0.837D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.42D-07 MaxDP=1.32D-05 DE=-2.48D-10 OVMax= 2.32D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.90D-08    CP:  1.28D+00  1.15D+00  1.18D+00  1.39D+00  1.32D+00
                    CP:  1.12D+00  1.25D+00  1.19D+00  1.05D+00
 E= -465.851002276883     Delta-E=        0.000000000016 Rises=F Damp=F
 DIIS: error= 2.26D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -465.851002276899     IErMin=10 ErrMin= 2.26D-08
 ErrMax= 2.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.56D-13 BMatP= 1.03D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.304D-05-0.877D-04 0.149D-04 0.609D-03 0.233D-02-0.331D-04
 Coeff-Com: -0.350D-01-0.371D-01 0.180D+00 0.890D+00
 Coeff:      0.304D-05-0.877D-04 0.149D-04 0.609D-03 0.233D-02-0.331D-04
 Coeff:     -0.350D-01-0.371D-01 0.180D+00 0.890D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=7.22D-08 MaxDP=1.18D-05 DE= 1.61D-11 OVMax= 7.90D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.31D-08    CP:  1.28D+00  1.15D+00  1.18D+00  1.39D+00  1.32D+00
                    CP:  1.12D+00  1.25D+00  1.20D+00  1.09D+00  1.09D+00
 E= -465.851002276956     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 1.03D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.851002276956     IErMin=11 ErrMin= 1.03D-08
 ErrMax= 1.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-13 BMatP= 9.56D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.201D-05-0.467D-04-0.101D-04 0.191D-03 0.115D-02 0.115D-02
 Coeff-Com: -0.107D-01-0.232D-01-0.222D-02 0.285D+00 0.749D+00
 Coeff:      0.201D-05-0.467D-04-0.101D-04 0.191D-03 0.115D-02 0.115D-02
 Coeff:     -0.107D-01-0.232D-01-0.222D-02 0.285D+00 0.749D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.05D-08 MaxDP=1.35D-06 DE=-7.30D-11 OVMax= 2.02D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.34D-09    CP:  1.28D+00  1.15D+00  1.18D+00  1.39D+00  1.32D+00
                    CP:  1.12D+00  1.25D+00  1.20D+00  1.09D+00  1.14D+00
                    CP:  1.04D+00
 E= -465.851002276887     Delta-E=        0.000000000070 Rises=F Damp=F
 DIIS: error= 3.36D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.851002276956     IErMin=12 ErrMin= 3.36D-09
 ErrMax= 3.36D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.21D-15 BMatP= 1.14D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-06 0.537D-05-0.175D-05-0.500D-04-0.133D-03 0.139D-03
 Coeff-Com:  0.286D-02 0.178D-02-0.235D-01-0.793D-01 0.777D-01 0.102D+01
 Coeff:     -0.116D-06 0.537D-05-0.175D-05-0.500D-04-0.133D-03 0.139D-03
 Coeff:      0.286D-02 0.178D-02-0.235D-01-0.793D-01 0.777D-01 0.102D+01
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=3.70D-09 MaxDP=2.47D-07 DE= 6.96D-11 OVMax= 1.51D-07

 SCF Done:  E(RwB97XD) =  -465.851002277     A.U. after   12 cycles
            NFock= 12  Conv=0.37D-08     -V/T= 2.0064
 KE= 4.629098932607D+02 PE=-2.447534707253D+03 EE= 8.357992535741D+02
 Leave Link  502 at Fri Jul  9 23:16:33 2021, MaxMem= 17179869184 cpu:            2646.1 elap:             221.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.72514111D+02

 Leave Link  801 at Fri Jul  9 23:16:33 2021, MaxMem= 17179869184 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 1.62D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.62D-01 5.07D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 3.41D-02 3.30D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 2.67D-03 8.14D-03.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 2.14D-04 3.00D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.47D-05 7.48D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 4.61D-07 1.24D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 1.75D-08 2.59D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 4.28D-10 3.27D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 1.05D-11 5.31D-07.
      8 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 2.06D-13 6.37D-08.
      1 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 1.08D-14 8.59D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.126109D+03
      2  0.164010D+00  0.116109D+03
      3 -0.482991D+00  0.700813D+00  0.107070D+03
 Isotropic polarizability for W=    0.085645      116.43 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.658752D+00 -0.202735D+02  0.117701D+00
      2   0.766646D+01  0.310109D+02 -0.246933D+02
      3  -0.700771D+01 -0.107373D+02  0.245756D+02
      4   0.879271D+01  0.101566D+02  0.262773D+01
      5   0.134587D+02  0.195673D+01 -0.128105D+02
      6   0.166340D+01 -0.926767D+01  0.162010D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.171602D+01  0.829228D+01 -0.131755D+02
      2  -0.798541D+01 -0.107992D+00 -0.361011D+01
      3   0.172054D+02 -0.416451D+01 -0.230246D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.671000D+00  0.154256D+02 -0.269384D+02
      2  -0.133410D+02  0.964332D+00 -0.580276D+01
      3   0.290662D+02 -0.249011D+01 -0.293332D+00
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.137298D+01  0.183861D+00 -0.741505D+00
      2   0.183861D+00 -0.521361D-01  0.907045D+00
      3  -0.741505D+00  0.907045D+00  0.730684D+00
 OR G Eigenvalues:    -1.7470    -0.3760     1.4286  Iso=     0.2315
 Eigenvectors:
   (1)   0.880672  -0.294230   0.371274
   (2)   0.433177   0.817422  -0.379710
   (3)  -0.191765   0.495227   0.847335
 w=    0.085645 a.u., Optical Rotation Beta=      0.2315 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       72.11 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.86D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.86D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.47D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 1.36D-02 1.81D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 1.57D-03 5.58D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 2.28D-05 8.80D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 4.17D-07 7.93D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 5.86D-09 9.41D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 6.70D-11 9.02D-07.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 4.80D-13 8.20D-08.
     15 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 5.68D-15 5.74D-09.
      1 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 1.06D-15 2.79D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   256 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.31D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.31D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.67D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126109D+03  0.164010D+00 -0.482991D+00
      2   0.164010D+00  0.116109D+03  0.700813D+00
      3  -0.482991D+00  0.700813D+00  0.107070D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.171602D+01  0.829228D+01 -0.131755D+02
      2  -0.798541D+01 -0.107992D+00 -0.361011D+01
      3   0.172054D+02 -0.416451D+01 -0.230246D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.658752D+00 -0.202735D+02  0.117701D+00
      2   0.766646D+01  0.310109D+02 -0.246933D+02
      3  -0.700771D+01 -0.107373D+02  0.245756D+02
      4   0.879271D+01  0.101566D+02  0.262773D+01
      5   0.134587D+02  0.195673D+01 -0.128105D+02
      6   0.166340D+01 -0.926767D+01  0.162010D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.388115D+01  0.363978D+01  0.658997D+00  0.403495D+01 -0.838962D+00
      2   0.363978D+01 -0.660012D+00  0.114747D+01 -0.838962D+00 -0.427133D+01
      3   0.658997D+00  0.114747D+01  0.216173D+01  0.147142D+01  0.123969D+01
                 6             7             8             9            10 
      1   0.147142D+01  0.212448D+01  0.222503D+01  0.141739D+01 -0.418790D+01
      2   0.123969D+01  0.222503D+01  0.213890D+01 -0.380770D+01 -0.471423D+01
      3  -0.384487D+01  0.141739D+01 -0.380770D+01 -0.163045D+01 -0.262730D+00
                11            12            13            14            15 
      1  -0.471423D+01 -0.262730D+00 -0.398208D+01  0.462015D+00  0.392870D+00
      2  -0.331618D+00  0.564889D+00  0.462015D+00  0.236557D+01 -0.176038D+01
      3   0.564889D+00  0.810196D+00  0.392870D+00 -0.176038D+01  0.282361D+01
                16            17            18            19            20 
      1  -0.200022D+01 -0.685475D-01 -0.567053D+00 -0.733587D+00 -0.152798D+01
      2  -0.685475D-01 -0.332583D+01  0.272904D+01 -0.152798D+01  0.224693D+01
      3  -0.567053D+00  0.272904D+01  0.414567D+01 -0.862104D+00  0.479192D+00
                21            22            23            24            25 
      1  -0.862104D+00 -0.543314D+01  0.198827D+01  0.342875D+00 -0.284920D+01
      2   0.479192D+00  0.198827D+01  0.475481D+01  0.219351D+01  0.548275D+00
      3  -0.514049D+00  0.342875D+00  0.219351D+01  0.653560D+00 -0.922466D+00
                26            27            28            29            30 
      1   0.548275D+00 -0.922466D+00 -0.252364D+00 -0.222485D+01 -0.104238D+01
      2   0.247966D+01  0.180881D+01 -0.222485D+01 -0.384479D+00 -0.132569D+00
      3   0.180881D+01  0.909943D+00 -0.104238D+01 -0.132569D+00 -0.139629D+00
                31            32            33            34            35 
      1  -0.368535D+00 -0.521777D+00 -0.888957D-01 -0.393475D+00 -0.288399D+00
      2  -0.521777D+00 -0.118904D+02 -0.371234D+01 -0.288399D+00 -0.365235D+01
      3  -0.888957D-01 -0.371234D+01 -0.227319D+01  0.122403D+00 -0.390635D+01
                36            37            38            39            40 
      1   0.122403D+00 -0.308291D+01  0.875089D+00  0.601053D+00  0.252763D+01
      2  -0.390635D+01  0.875089D+00 -0.229020D+01 -0.277159D+01 -0.362105D+01
      3  -0.382152D+01  0.601053D+00 -0.277159D+01  0.276223D+01 -0.415508D+01
                41            42            43            44            45 
      1  -0.362105D+01 -0.415508D+01  0.134294D+01 -0.375962D+01  0.357691D+01
      2  -0.139060D+01 -0.109881D+01 -0.375962D+01 -0.179841D+01  0.253769D+00
      3  -0.109881D+01  0.101488D+01  0.357691D+01  0.253769D+00 -0.276193D+00
                46            47            48            49            50 
      1   0.118900D+01  0.520524D+00 -0.189027D+01  0.440940D+00  0.314731D+01
      2   0.520524D+00  0.209992D+01  0.421099D+01  0.314731D+01  0.740451D+00
      3  -0.189027D+01  0.421099D+01 -0.629623D+00  0.491381D+01  0.556777D-01
                51            52            53            54            55 
      1   0.491381D+01 -0.147983D+01  0.473939D+01  0.158799D-01  0.127414D+00
      2   0.556777D-01  0.473939D+01  0.854424D+00 -0.212451D+01  0.449944D+00
      3  -0.104025D+01  0.158799D-01 -0.212451D+01 -0.213740D+00  0.114507D+01
                56            57            58            59            60 
      1   0.449944D+00  0.114507D+01  0.125761D+01 -0.213765D+01 -0.280367D+01
      2  -0.226135D+01 -0.329027D+01 -0.213765D+01 -0.309805D+01 -0.116519D+01
      3  -0.329027D+01  0.178879D+01 -0.280367D+01 -0.116519D+01  0.389600D+00
                61            62            63            64            65 
      1   0.103344D+01 -0.344485D+01  0.245062D+01 -0.212470D+01 -0.397194D+01
      2  -0.344485D+01 -0.170083D+01 -0.850461D+00 -0.397194D+01  0.363787D+00
      3   0.245062D+01 -0.850461D+00  0.376743D+00 -0.792905D+00 -0.150637D+01
                66            67            68            69            70 
      1  -0.792905D+00 -0.429244D+01 -0.699086D+00 -0.165741D+01 -0.545749D+00
      2  -0.150637D+01 -0.699086D+00  0.242982D+01 -0.178470D+01 -0.181266D+01
      3  -0.126730D+01 -0.165741D+01 -0.178470D+01  0.418219D+01 -0.203986D+01
                71            72            73            74            75 
      1  -0.181266D+01 -0.203986D+01  0.461770D+00  0.272242D+00 -0.820198D+00
      2  -0.190745D+01  0.424379D+01  0.272242D+00 -0.179001D+00 -0.187716D-01
      3   0.424379D+01  0.187357D+01 -0.820198D+00 -0.187716D-01 -0.439703D+00
                76            77            78            79            80 
      1  -0.745182D-01  0.232668D+00  0.373168D+00 -0.138425D+01  0.646222D-01
      2   0.232668D+00 -0.668959D+00 -0.789864D+00  0.646222D-01 -0.102748D+01
      3   0.373168D+00 -0.789864D+00 -0.197125D+01  0.113374D+01 -0.450182D+00
                81            82            83            84            85 
      1   0.113374D+01  0.864734D+01  0.341199D+01 -0.119692D+01  0.275368D+01
      2  -0.450182D+00  0.341199D+01  0.273645D+01 -0.715664D+00  0.180626D+01
      3  -0.797737D+01 -0.119692D+01 -0.715664D+00  0.111097D+01 -0.508441D+00
                86            87            88            89            90 
      1   0.180626D+01 -0.508441D+00  0.730459D+00  0.227579D+00  0.938832D+00
      2   0.194923D+01 -0.200939D+00  0.227579D+00  0.722646D+00  0.244127D+00
      3  -0.200939D+00  0.314207D+00  0.938832D+00  0.244127D+00 -0.553664D+00
                91            92            93            94            95 
      1   0.272153D+01 -0.192897D+01 -0.130014D+01 -0.323742D+01  0.322783D+01
      2  -0.192897D+01  0.188044D+01  0.320436D+01  0.322783D+01  0.300480D+01
      3  -0.130014D+01  0.320436D+01 -0.318550D+01  0.408555D+01  0.110301D+01
                96            97            98            99           100 
      1   0.408555D+01 -0.258348D+00  0.336538D+01 -0.340868D+01  0.235004D+01
      2   0.110301D+01  0.336538D+01  0.213644D+01 -0.614354D-01 -0.163474D+01
      3  -0.105473D+01 -0.340868D+01 -0.614354D-01 -0.142584D+01 -0.494414D+00
               101           102           103           104           105 
      1  -0.163474D+01 -0.494414D+00 -0.153416D+01  0.422601D+01  0.319519D+01
      2   0.301187D+01  0.258154D+01  0.422601D+01  0.128025D+01  0.190826D+01
      3   0.258154D+01 -0.361272D+01  0.319519D+01  0.190826D+01 -0.362917D+00
               106           107           108           109           110 
      1  -0.163980D+01  0.352549D+01 -0.338512D+01 -0.532495D+00 -0.315320D+01
      2   0.352549D+01  0.124564D+01 -0.411442D+00 -0.315320D+01 -0.157575D+01
      3  -0.338512D+01 -0.411442D+00  0.105300D+01  0.121442D+00 -0.415836D+01
               111           112           113           114           115 
      1   0.121442D+00 -0.322469D+01 -0.172088D+01 -0.407288D+01  0.657352D+00
      2  -0.415836D+01 -0.172088D+01  0.403676D+00 -0.213230D+01 -0.386287D+01
      3  -0.400837D+00 -0.407288D+01 -0.213230D+01  0.316957D+01 -0.972019D+00
               116           117           118           119           120 
      1  -0.386287D+01 -0.972019D+00 -0.400201D+01  0.200850D+01  0.220476D+01
      2  -0.989032D+00  0.361857D+01  0.200850D+01 -0.247137D+01 -0.165132D+01
      3   0.361857D+01 -0.100324D+01  0.220476D+01 -0.165132D+01 -0.190152D+01
               121           122           123           124           125 
      1   0.169405D+01 -0.225268D+01 -0.161010D+01  0.199633D+01 -0.174830D+01
      2  -0.225268D+01  0.381883D+01  0.189449D+01 -0.174830D+01  0.205176D+01
      3  -0.161010D+01  0.189449D+01  0.194310D+01 -0.200962D+01  0.230668D+01
               126           127           128           129           130 
      1  -0.200962D+01  0.144110D+01  0.176421D+01  0.961435D-01  0.152115D+01
      2   0.230668D+01  0.176421D+01  0.302813D+01  0.614693D+00  0.211341D+01
      3   0.337638D+01  0.961435D-01  0.614693D+00  0.259738D+00  0.391882D+00
               131           132           133           134           135 
      1   0.211341D+01  0.391882D+00  0.574197D+00  0.981650D+00  0.183506D+00
      2   0.921053D+01  0.118170D+01  0.981650D+00  0.298639D+01  0.147449D+01
      3   0.118170D+01  0.103293D+01  0.183506D+00  0.147449D+01  0.877853D+00
               136           137           138           139           140 
      1  -0.318698D+01  0.953883D+00 -0.179116D+01  0.281427D+00 -0.124371D+01
      2   0.953883D+00 -0.206115D+01  0.149919D+01 -0.124371D+01  0.241238D+01
      3  -0.179116D+01  0.149919D+01 -0.201022D+01  0.812222D+00 -0.134474D+01
               141           142           143           144           145 
      1   0.812222D+00 -0.219169D+01  0.120059D+01 -0.190900D+01  0.895892D-01
      2  -0.134474D+01  0.120059D+01 -0.231417D+01  0.218055D+01 -0.289405D+00
      3   0.127718D+01 -0.190900D+01  0.218055D+01 -0.371815D+01  0.590940D+00
               146           147           148           149           150 
      1  -0.289405D+00  0.590940D+00 -0.118116D+01  0.146751D+01 -0.439009D+00
      2  -0.354894D+00  0.226665D+00  0.146751D+01 -0.544296D+01  0.271497D+01
      3   0.226665D+00 -0.155105D+00 -0.439009D+00  0.271497D+01 -0.270027D+01
               151           152           153           154           155 
      1   0.158261D+01 -0.822492D+00  0.984909D+00  0.825626D+01  0.156128D+01
      2  -0.822492D+00  0.333734D+01 -0.286829D+01  0.156128D+01  0.127331D+01
      3   0.984909D+00 -0.286829D+01  0.289031D+01  0.147692D+01  0.372440D+00
               156           157           158           159           160 
      1   0.147692D+01  0.444039D+01  0.140324D+01  0.824762D+00  0.196013D+01
      2   0.372440D+00  0.140324D+01  0.143207D+01  0.509494D+00  0.441785D+00
      3   0.127750D+01  0.824762D+00  0.509494D+00  0.507405D+00  0.160406D+01
               161           162           163           164           165 
      1   0.441785D+00  0.160406D+01  0.165141D+01 -0.558778D+00 -0.113461D+01
      2   0.627074D+00 -0.140950D+00 -0.558778D+00  0.676374D+00  0.793314D+00
      3  -0.140950D+00  0.669512D+00 -0.113461D+01  0.793314D+00  0.107895D+01
               166           167           168           169           170 
      1  -0.110427D+01  0.145951D+01  0.103419D+01 -0.313881D+01  0.187098D+01
      2   0.145951D+01 -0.255863D+01 -0.135408D+01  0.187098D+01 -0.233755D+01
      3   0.103419D+01 -0.135408D+01 -0.213459D+01  0.226794D+01 -0.250717D+01
               171           172           173           174           175 
      1   0.226794D+01  0.305489D+01  0.817136D+00  0.931135D+00  0.617641D+00
      2  -0.250717D+01  0.817136D+00  0.893721D+00 -0.960806D+00  0.186478D+00
      3  -0.480602D+01  0.931135D+00 -0.960806D+00  0.238354D+01 -0.580663D+00
               176           177           178           179           180 
      1   0.186478D+00 -0.580663D+00  0.164770D+01 -0.242161D+00  0.100141D+01
      2  -0.106286D+01  0.103692D+01 -0.242161D+00  0.120834D+01 -0.154786D+01
      3   0.103692D+01 -0.117288D+01  0.100141D+01 -0.154786D+01  0.614063D+01
               181           182           183           184           185 
      1  -0.232799D+01 -0.162359D+01 -0.938665D-02 -0.273020D+01 -0.328640D+01
      2  -0.162359D+01 -0.206009D+01 -0.373296D+00 -0.328640D+01 -0.627062D+01
      3  -0.938665D-02 -0.373296D+00 -0.126849D+00 -0.166557D+00 -0.137411D+00
               186           187           188           189           190 
      1  -0.166557D+00 -0.131910D+01 -0.119964D+01 -0.897408D-01 -0.737363D+01
      2  -0.137411D+00 -0.119964D+01 -0.164531D+01 -0.667554D+00  0.157753D+01
      3  -0.120639D+01 -0.897408D-01 -0.667554D+00 -0.576155D+00  0.260517D+01
               191           192           193           194           195 
      1   0.157753D+01  0.260517D+01  0.402622D+01 -0.194324D+01 -0.187160D+01
      2  -0.159023D+01 -0.679355D+00 -0.194324D+01  0.135070D+01  0.619956D+00
      3  -0.679355D+00 -0.175683D+01 -0.187160D+01  0.619956D+00  0.164531D+01
               196           197           198           199           200 
      1   0.161727D+01 -0.739763D+00 -0.134336D+01  0.178481D+01  0.965249D+00
      2  -0.739763D+00  0.214906D+00  0.490297D+00  0.965249D+00  0.574318D+00
      3  -0.134336D+01  0.490297D+00  0.164608D+01 -0.658201D+00 -0.810140D+00
               201           202           203           204           205 
      1  -0.658201D+00  0.139455D+01  0.204865D+00 -0.349568D+00 -0.119462D+01
      2  -0.810140D+00  0.204865D+00  0.126793D+01 -0.139055D+01 -0.663795D+00
      3   0.233020D+01 -0.349568D+00 -0.139055D+01  0.169983D+01  0.740377D+00
               206           207           208           209           210 
      1  -0.663795D+00  0.740377D+00 -0.662463D+01  0.284166D+01 -0.287339D+00
      2  -0.154392D+01  0.165718D+01  0.284166D+01 -0.248155D+01 -0.940216D-01
      3   0.165718D+01 -0.556198D+01 -0.287339D+00 -0.940216D-01 -0.806807D+00
               211           212           213           214           215 
      1   0.405187D+01 -0.311413D+01  0.255409D-01  0.185595D+01 -0.948207D+00
      2  -0.311413D+01  0.289910D+01 -0.346541D+00 -0.948207D+00  0.578218D+00
      3   0.255409D-01 -0.346541D+00  0.945871D+00 -0.453715D+00  0.511330D+00
               216           217           218           219           220 
      1  -0.453715D+00 -0.314222D+01 -0.153842D+01 -0.127055D+01 -0.338660D+01
      2   0.511330D+00 -0.153842D+01 -0.182815D+01 -0.104241D+01 -0.272080D+01
      3   0.366373D+00 -0.127055D+01 -0.104241D+01 -0.842992D+00 -0.203793D+01
               221           222           223           224           225 
      1  -0.272080D+01 -0.203793D+01 -0.109487D+01 -0.111971D+01 -0.992949D+00
      2  -0.381664D+01 -0.172390D+01 -0.111971D+01 -0.119927D+01 -0.115962D+01
      3  -0.172390D+01 -0.227058D+01 -0.992949D+00 -0.115962D+01 -0.185425D+01
               226           227           228           229           230 
      1  -0.243332D+01 -0.910909D+00  0.102053D+01 -0.124826D+01 -0.159893D+00
      2  -0.910909D+00 -0.358457D+00  0.666584D+00 -0.159893D+00 -0.229552D+01
      3   0.102053D+01  0.666584D+00 -0.610007D+00  0.472089D+00  0.233253D+01
               231           232           233           234           235 
      1   0.472089D+00  0.106988D+01  0.369003D+00 -0.148203D+00  0.434843D+01
      2   0.233253D+01  0.369003D+00  0.153799D+01 -0.221447D+01  0.241798D+01
      3  -0.352354D+01 -0.148203D+00 -0.221447D+01  0.622610D+01  0.236114D+01
               236           237           238           239           240 
      1   0.241798D+01  0.236114D+01  0.275538D+01  0.233487D+01  0.200622D+01
      2   0.210304D+01  0.184364D+01  0.233487D+01  0.344639D+01  0.215154D+01
      3   0.184364D+01  0.243585D+01  0.200622D+01  0.215154D+01  0.195623D+01
               241           242           243 
      1   0.129721D+01  0.116124D+01  0.180380D+01
      2   0.116124D+01  0.132188D+01  0.119936D+01
      3   0.180380D+01  0.119936D+01  0.286643D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.416588D+00  0.267437D+01  0.270655D+00  0.569677D+00  0.220237D+01
      2  -0.261551D+01  0.219742D+00  0.116436D+02  0.185374D+01  0.257158D+01
      3  -0.572501D+01 -0.640754D+01 -0.122039D+00  0.339439D+01  0.612016D+01
                 6             7             8             9            10 
      1  -0.469076D+01  0.158015D+01  0.186918D+01 -0.389429D+00  0.581054D+01
      2  -0.662932D+01 -0.537731D-01 -0.978308D+01 -0.417889D+01 -0.218467D+01
      3  -0.242606D+01 -0.383072D+01 -0.726836D+01  0.510448D+01  0.889777D+01
                11            12            13            14            15 
      1  -0.198829D+01 -0.196017D+01 -0.176313D+01  0.153177D+01 -0.137437D+01
      2  -0.101957D+01  0.313071D+01 -0.463502D+01 -0.205763D+01  0.640249D+01
      3  -0.561984D+01 -0.167099D+01 -0.299781D+01 -0.383091D+01  0.367027D+01
                16            17            18            19            20 
      1  -0.962265D+00  0.440003D+01 -0.853216D+01 -0.233342D-01 -0.128968D+01
      2  -0.405840D+01  0.832397D+01  0.107528D+02  0.221416D+01  0.378859D+01
      3  -0.701867D+00  0.851118D+01 -0.492505D+01  0.243043D+01  0.360450D+00
                21            22            23            24            25 
      1  -0.137962D+01  0.113864D+01 -0.723832D+01  0.586833D+01 -0.965179D+00
      2  -0.694323D+01  0.103011D+02 -0.119633D+01  0.262845D+01 -0.207644D+02
      3  -0.309691D+01  0.778044D+01 -0.363253D+01  0.742961D+00 -0.875919D+01
                26            27            28            29            30 
      1   0.965562D+01  0.892169D+01 -0.345181D+00  0.716589D+00 -0.222537D+00
      2   0.352335D+01  0.199654D+01 -0.132791D+01 -0.165392D+01  0.348472D+01
      3   0.446503D+00 -0.106849D+01 -0.118701D+00  0.636362D+00  0.214423D+01
                31            32            33            34            35 
      1  -0.409167D+00  0.401030D+01 -0.992257D+01 -0.126239D+00 -0.271739D+00
      2  -0.901345D+01  0.190403D+00  0.168451D+01  0.982760D+00 -0.779252D-01
      3   0.117607D+02  0.267586D+01  0.128591D+01  0.917158D+01  0.819509D+00
                36            37            38            39            40 
      1  -0.696211D+01  0.722768D+00 -0.227616D+01  0.293200D+01 -0.777502D+00
      2   0.494118D+00  0.118702D+01  0.362203D+01  0.759872D+00  0.658737D+01
      3   0.113878D+01 -0.122518D+01 -0.117974D+02 -0.489843D+01 -0.254154D+01
                41            42            43            44            45 
      1  -0.144021D+01 -0.609618D+01  0.190957D+01  0.304078D+01 -0.328936D+00
      2   0.398036D+01 -0.447052D+01 -0.852620D+01  0.552031D+00 -0.197015D+01
      3  -0.124717D+01 -0.448166D+01 -0.654348D+01 -0.164948D+01  0.683838D+00
                46            47            48            49            50 
      1   0.392917D+01 -0.508816D+01  0.566706D+01 -0.591036D+01  0.272101D+00
      2   0.219899D+01 -0.248928D+01  0.516760D+01 -0.461041D+01 -0.132788D+01
      3  -0.265657D+01 -0.171103D+01 -0.415461D+00  0.503792D+01  0.495381D+01
                51            52            53            54            55 
      1   0.174062D+00  0.603294D+01  0.758497D+01 -0.964769D+00 -0.505244D+01
      2  -0.362953D+01 -0.193499D+01 -0.477622D+01 -0.350816D+00 -0.104866D+01
      3   0.649808D+01  0.571652D+00  0.626400D+01 -0.209111D+01  0.498417D+00
                56            57            58            59            60 
      1   0.118466D+02 -0.487011D+01  0.107865D+02  0.542717D+01 -0.285873D+01
      2   0.753068D+00  0.301108D+01  0.105464D+01 -0.991455D+00 -0.174183D+01
      3  -0.689190D+00  0.347310D+01  0.694862D+01 -0.565577D+01 -0.898309D+01
                61            62            63            64            65 
      1  -0.661081D+01  0.496440D+01 -0.213922D+01 -0.804092D+00 -0.245888D+01
      2  -0.673249D+00 -0.234710D+01  0.242399D+01 -0.961830D+00 -0.394119D+01
      3   0.368957D+01 -0.108511D+02  0.808336D+01  0.152424D+02  0.189250D+01
                66            67            68            69            70 
      1  -0.183646D+01 -0.256243D+01 -0.212414D+01  0.437416D+01 -0.518479D+01
      2  -0.144488D+01 -0.540046D+01 -0.483783D+01  0.123212D+02 -0.948757D+01
      3   0.580232D+01  0.106916D+02 -0.776929D+01  0.766638D+01  0.606653D+01
                71            72            73            74            75 
      1   0.860226D+01  0.320259D+01  0.581802D+00  0.749689D+00  0.609186D+00
      2   0.130457D+02  0.558800D+01 -0.212042D+01 -0.878415D-01 -0.124411D+01
      3   0.718562D+01 -0.106104D+02 -0.768165D+00 -0.729944D-01 -0.618424D+00
                76            77            78            79            80 
      1  -0.106259D+00  0.276141D+01  0.184060D+01 -0.139872D+01  0.518765D+01
      2  -0.507680D+00 -0.151511D+01 -0.364667D+01 -0.287362D+01 -0.917687D+00
      3   0.500936D+00  0.187363D+01  0.116503D+01 -0.111621D+01  0.211148D+01
                81            82            83            84            85 
      1   0.955951D+01 -0.159998D+01 -0.212912D+01 -0.153908D+01 -0.130791D+01
      2  -0.135450D+02  0.549829D+01 -0.158451D+00  0.418624D+01  0.281192D+01
      3   0.198163D+01  0.338617D+01 -0.569638D+01  0.617671D+00  0.176177D+01
                86            87            88            89            90 
      1  -0.154559D+01 -0.137768D+01 -0.710637D+00 -0.237892D+00  0.458518D+00
      2   0.138761D+01  0.577427D+00  0.690690D+00 -0.740472D+00 -0.516643D+00
      3  -0.225857D+01 -0.556054D+00  0.158647D+00 -0.196340D+01  0.361708D+00
                91            92            93            94            95 
      1  -0.357439D+01  0.631172D+01  0.427331D+00  0.828734D+01  0.740010D+01
      2   0.112995D+00 -0.594863D+01  0.113909D+02 -0.878381D+01 -0.685970D+01
      3  -0.700613D+01  0.432396D+01  0.956485D+01  0.108827D+02  0.619159D+01
                96            97            98            99           100 
      1  -0.492056D+00  0.143143D+01  0.476540D+01 -0.378684D+01  0.109734D+01
      2  -0.127561D+01  0.796760D+01 -0.473349D+01  0.108629D+02  0.442657D+01
      3   0.923347D+00  0.103689D+02  0.181355D+01  0.288827D+01 -0.293311D+01
               101           102           103           104           105 
      1  -0.431218D+01 -0.413492D+01 -0.702706D+01 -0.230154D+01 -0.553626D+01
      2  -0.854836D+01  0.111016D+02 -0.902705D+01 -0.148910D+01  0.544117D+01
      3   0.608029D+01  0.716731D+01  0.138462D+02  0.385594D+01  0.690455D+01
               106           107           108           109           110 
      1  -0.502157D+01 -0.122073D+01  0.213963D+00 -0.668275D+01  0.250230D+00
      2   0.646808D+01  0.504449D+01 -0.814120D+01 -0.340161D+01  0.426954D-01
      3   0.104441D+02  0.425824D+01 -0.218444D+01  0.367209D+01 -0.419880D+01
               111           112           113           114           115 
      1  -0.807079D+01 -0.358813D+00 -0.654490D+00 -0.985157D+01 -0.663498D+01
      2  -0.891951D+00  0.140596D+01 -0.178232D+01  0.107640D+02 -0.510963D+01
      3   0.274144D+01  0.119820D+01 -0.359631D+01 -0.167652D+00  0.388183D+01
               116           117           118           119           120 
      1  -0.259238D+01  0.606717D+01 -0.152916D+01 -0.846526D+00  0.225909D+01
      2   0.106744D+02 -0.185859D+01  0.327570D+01 -0.833039D+00  0.121946D+01
      3  -0.698313D+00 -0.391907D+01 -0.579523D+01 -0.128083D+01  0.205379D+01
               121           122           123           124           125 
      1   0.472206D+00  0.140833D+01 -0.308933D+01  0.127068D+01  0.423435D+00
      2  -0.120138D+01  0.946339D+00 -0.102532D+01 -0.301293D+01  0.372891D+00
      3   0.317824D+01 -0.139433D-01 -0.124161D+01  0.313839D+01 -0.111575D-01
               126           127           128           129           130 
      1  -0.375008D+01 -0.771359D+00 -0.351478D+01 -0.173324D+01 -0.216733D+01
      2  -0.100967D+01  0.493683D+00  0.563829D+00  0.146533D+01  0.370672D+00
      3  -0.138008D+01  0.419807D+01  0.220966D+01  0.240140D+00  0.611721D+01
               131           132           133           134           135 
      1  -0.690566D+01 -0.630032D+01 -0.486703D+00 -0.372481D+01 -0.391029D+01
      2   0.107509D+01  0.113436D+01 -0.328256D+00  0.670121D+00 -0.130894D+00
      3   0.286077D+01  0.892633D+00  0.219806D+01  0.170456D+01 -0.141522D+00
               136           137           138           139           140 
      1   0.566817D+01 -0.135505D+01  0.599963D+01 -0.603509D+00  0.254633D+01
      2  -0.456193D+01 -0.681830D-01 -0.946479D+00 -0.602587D-01 -0.179916D+01
      3  -0.109923D+02  0.499999D+00 -0.484938D+01  0.156165D+01 -0.298452D+01
               141           142           143           144           145 
      1  -0.318135D+01  0.543212D+01 -0.174361D+01  0.969851D+01  0.710943D+00
      2  -0.696158D-02 -0.511006D+01  0.902403D+00 -0.163024D+01  0.177329D+01
      3   0.256733D+01 -0.775304D+01  0.310997D+01 -0.562480D+01  0.991237D+00
               146           147           148           149           150 
      1   0.861191D-02 -0.384899D+00 -0.311362D+00  0.164893D+01 -0.544582D+01
      2   0.237816D+00 -0.229530D-01  0.123585D+00  0.721721D+01 -0.802388D+01
      3   0.362771D+00 -0.137432D+01 -0.617317D-01  0.140880D+02 -0.760824D+01
               151           152           153           154           155 
      1   0.769711D+00 -0.152351D+01  0.436422D+01  0.198724D+01  0.136623D+01
      2   0.407900D-01 -0.764969D+01  0.798420D+01  0.228265D+01  0.903052D+00
      3  -0.115607D+01 -0.916426D+01  0.739966D+01 -0.125094D+02 -0.853681D+01
               156           157           158           159           160 
      1   0.982168D+00  0.115044D+01  0.129387D+01 -0.418398D+00  0.164622D+01
      2   0.585209D+01  0.156370D+01  0.116078D+01  0.238064D+01  0.265521D+01
      3  -0.289338D+01 -0.663969D+01 -0.717155D+01 -0.228089D+01 -0.346969D+01
               161           162           163           164           165 
      1   0.944210D+00  0.431851D+00 -0.171952D+01  0.101103D+01  0.197170D+01
      2  -0.520797D+00  0.204160D+01 -0.345887D+01  0.269034D+01  0.418243D+01
      3  -0.311823D+01 -0.104245D+01  0.209495D+00 -0.196450D+01 -0.792460D+00
               166           167           168           169           170 
      1   0.166445D+01 -0.137434D+01 -0.468104D+01  0.313747D+01 -0.161876D+01
      2   0.242644D+01 -0.401015D+01 -0.709099D+01  0.393448D+01 -0.722150D+01
      3  -0.968573D+00  0.600258D+01  0.279245D+01 -0.385063D+00  0.575664D+01
               171           172           173           174           175 
      1  -0.789480D+01  0.479370D+01  0.212248D+01  0.160910D+01  0.426610D+00
      2  -0.147931D+02 -0.140221D+02 -0.112891D+01 -0.659794D+01 -0.358630D+00
      3   0.520857D+01 -0.453598D+01 -0.762252D-01 -0.335809D+01  0.561839D+00
               176           177           178           179           180 
      1  -0.681105D+00 -0.773985D+00  0.133992D+01  0.250392D+01  0.471475D+01
      2  -0.311674D+01  0.337459D+01 -0.924265D+01  0.350713D+01 -0.160006D+02
      3  -0.244887D+01  0.271319D+01 -0.363975D+01  0.255064D+01 -0.526350D+01
               181           182           183           184           185 
      1  -0.259193D+01 -0.331885D+01 -0.122054D+01 -0.454529D+01 -0.891410D+01
      2   0.278294D+01  0.282644D+01  0.120407D+01  0.355873D+01  0.472585D+01
      3  -0.138689D+01 -0.464031D+01 -0.745797D+00 -0.270836D+01 -0.134872D+02
               186           187           188           189           190 
      1  -0.458893D+01 -0.985719D+00 -0.215790D+01 -0.271356D+01  0.396129D+01
      2   0.462065D+01  0.466814D-01  0.275793D+01  0.206741D+01  0.247641D+01
      3  -0.548237D+00 -0.663205D+00 -0.355322D+01 -0.203028D+01  0.783752D+01
               191           192           193           194           195 
      1  -0.392469D+01 -0.158758D+01 -0.340948D+01  0.282679D+01  0.321451D+00
      2  -0.541836D+00  0.372548D+01  0.234329D-01  0.654656D+00 -0.363523D+01
      3  -0.766948D+01 -0.326209D+01 -0.486546D+01  0.556108D+01  0.169404D+01
               196           197           198           199           200 
      1  -0.221019D+01  0.166279D+01  0.191177D+01 -0.247443D+01 -0.228515D+01
      2  -0.616149D+00 -0.621853D-01 -0.290866D+01  0.759828D+01  0.427651D+01
      3  -0.317716D+01  0.197835D+01  0.203983D+01  0.419553D+01  0.177211D+01
               201           202           203           204           205 
      1   0.576541D+00 -0.157128D+01 -0.280198D+01  0.667732D+00  0.134753D+01
      2  -0.606249D+01  0.495951D+01  0.468623D+01 -0.513251D+01 -0.735642D+01
      3  -0.228153D+01  0.330123D+01  0.396277D+01 -0.362384D+01 -0.302290D+01
               206           207           208           209           210 
      1   0.440662D+01 -0.686199D+00 -0.325230D+01  0.326970D+01  0.181905D+01
      2  -0.580414D+01  0.146182D+02 -0.526634D+01  0.337041D+01  0.419633D+01
      3  -0.388959D+01  0.458486D+01  0.443468D+01 -0.762972D+01 -0.441497D+00
               211           212           213           214           215 
      1   0.356490D+01 -0.328535D+01 -0.172980D+01  0.977032D+00  0.111347D+00
      2   0.376176D+01 -0.180627D+01 -0.427724D+01  0.675902D+00 -0.152303D+01
      3  -0.473121D+01  0.781752D+01 -0.850700D+00 -0.186348D+01  0.184128D+01
               216           217           218           219           220 
      1  -0.129409D+01  0.276936D+01  0.336221D+01  0.113267D+01  0.372338D+01
      2  -0.202042D+01 -0.584457D+00  0.629752D+00  0.187124D+01  0.241054D+00
      3   0.112325D+01 -0.425729D+01 -0.616281D+01 -0.309370D+01 -0.467890D+01
               221           222           223           224           225 
      1   0.735488D+01  0.513794D+00  0.215885D+01  0.322205D+01  0.142968D+01
      2   0.143009D+01  0.464627D+01 -0.334614D+00  0.115134D+01  0.371242D+01
      3  -0.119481D+02 -0.433552D+01 -0.302795D+01 -0.405077D+01 -0.315500D+01
               226           227           228           229           230 
      1  -0.372354D+01 -0.268841D+01  0.194813D+01 -0.119264D+01 -0.684712D+01
      2   0.983885D+01  0.412514D+01 -0.183396D+01  0.639852D+01  0.334728D+01
      3   0.191878D+01  0.351716D+00 -0.203903D+00  0.275931D+01  0.273072D+01
               231           232           233           234           235 
      1   0.464029D+01  0.120661D+01  0.724288D+01 -0.679694D+01  0.252867D+01
      2  -0.533527D+01 -0.514619D+01 -0.346326D+01  0.614228D+01 -0.484656D+01
      3  -0.219068D+01 -0.874543D+00 -0.103909D+01  0.243588D+01  0.191330D+01
               236           237           238           239           240 
      1   0.378642D+01  0.735645D+00  0.248045D+01  0.508083D+01  0.468459D+00
      2  -0.128143D+01  0.193545D+01 -0.384398D+01 -0.583789D+00 -0.548520D-01
      3  -0.239816D+01 -0.363154D-01  0.197214D+01 -0.256643D+01 -0.462668D+00
               241           242           243 
      1   0.114172D+01  0.256602D+01 -0.474965D+00
      2  -0.189478D+01 -0.988526D+00  0.611197D+00
      3   0.295039D+00 -0.109451D+01  0.402022D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.138539D+02  0.754191D+01 -0.152817D+01  0.145982D+02  0.484230D+00
      2  -0.901387D+01 -0.415189D+01 -0.270235D+01 -0.898669D+01  0.509476D+01
      3  -0.484008D+01 -0.339001D+01  0.423052D+01 -0.561147D+01 -0.557899D+01
      4   0.135039D+02  0.244188D+01  0.162750D+01  0.923801D+00 -0.472814D+01
      5  -0.161145D+01  0.417312D+01  0.959796D+01  0.740042D+01  0.867627D+01
      6  -0.709055D+00  0.133613D+01  0.611392D+01  0.409700D+01  0.728859D+01
                 6             7             8             9            10 
      1   0.381827D+01  0.341089D+01  0.627139D+01  0.805530D+01 -0.189498D+02
      2   0.149853D+00 -0.187504D+01  0.311745D+00 -0.195974D+01  0.160012D+01
      3  -0.396813D+01 -0.153584D+01 -0.658314D+01 -0.609556D+01  0.173496D+02
      4   0.514603D+01  0.496184D+01  0.750529D+01 -0.126423D+02 -0.248506D+02
      5  -0.654096D+01  0.665659D+01 -0.128232D+02 -0.149700D+01  0.775905D+01
      6  -0.231105D+01 -0.392561D+01 -0.353289D+01 -0.120234D+01  0.677035D+01
                11            12            13            14            15 
      1  -0.176683D+02  0.669655D+00 -0.182473D+02 -0.509267D+01  0.798833D+01
      2   0.138323D+02  0.304875D+01  0.114665D+02 -0.171086D+01  0.519211D+00
      3   0.383593D+01 -0.371841D+01  0.678082D+01  0.680353D+01 -0.850755D+01
      4  -0.120819D+02  0.267247D+01 -0.116483D+02  0.416744D+01 -0.472983D+01
      5   0.900646D+01  0.248880D+01  0.617064D+01 -0.718323D+01  0.793561D+01
      6   0.599556D+01 -0.110345D+01  0.420768D+00 -0.693241D+01  0.554444D+01
                16            17            18            19            20 
      1  -0.616956D+01  0.434481D+01  0.587748D+01 -0.197165D+02 -0.214668D+00
      2   0.341446D+01 -0.569686D-01  0.139039D+02  0.123953D+02 -0.265232D+01
      3   0.275510D+01 -0.428784D+01 -0.197814D+02  0.732120D+01  0.286699D+01
      4  -0.291128D+01 -0.604258D+01  0.841111D+01 -0.179989D+01 -0.418262D+01
      5   0.191189D+01  0.101823D+02  0.872719D+01  0.121231D+01 -0.119797D+01
      6   0.287096D+01  0.858028D+01 -0.106426D+01  0.114569D+01 -0.199182D+01
                21            22            23            24            25 
      1  -0.882571D+00 -0.266061D+01  0.180619D+02  0.682668D+01 -0.317902D+01
      2   0.863198D+00  0.250593D+00 -0.260647D+02 -0.163034D+01  0.324606D+01
      3   0.193721D-01  0.241001D+01  0.800284D+01 -0.519635D+01 -0.670408D-01
      4   0.354692D+00 -0.698495D+01  0.296970D+01  0.292772D-01 -0.623340D+01
      5  -0.781444D+01 -0.886387D+01 -0.376925D+01  0.296519D+01 -0.101663D+01
      6  -0.999738D+00 -0.157422D+00 -0.186215D+02 -0.113623D+02 -0.395240D+00
                26            27            28            29            30 
      1   0.838172D+01  0.256452D+01  0.187261D+01 -0.120052D+01 -0.103095D+01
      2  -0.145608D+02 -0.617505D+01  0.255740D+01  0.195469D+01  0.233197D+00
      3   0.617913D+01  0.361053D+01 -0.443001D+01 -0.754171D+00  0.797757D+00
      4  -0.658230D+00  0.234654D+01  0.131872D+01  0.128898D+02  0.348434D+01
      5   0.139660D+01 -0.931260D-01 -0.706320D-01  0.308693D+01  0.746736D+01
      6  -0.300934D+01 -0.112527D+02  0.449287D+01  0.724525D+00  0.148922D+01
                31            32            33            34            35 
      1   0.118577D+01 -0.421923D+02 -0.150173D+02  0.352622D+00 -0.170422D+02
      2  -0.178682D+00  0.628880D+02  0.119573D+02 -0.749452D+00  0.133664D+02
      3  -0.100708D+01 -0.206957D+02  0.306002D+01  0.396830D+00  0.367583D+01
      4   0.149007D+02  0.280844D+00 -0.676414D+00  0.520453D+01 -0.757689D+00
      5   0.470982D+01  0.177126D+01  0.115100D+01  0.803774D+01  0.219055D+01
      6  -0.207406D+00  0.296593D+02  0.234299D+02  0.102188D+01  0.251393D+02
                36            37            38            39            40 
      1  -0.179590D+02  0.123279D+02  0.240885D+01  0.614849D+00 -0.550221D+01
      2   0.790846D+01 -0.348714D+01 -0.204176D+01  0.154976D+01  0.618335D+01
      3   0.100506D+02 -0.884081D+01 -0.367092D+00 -0.216461D+01 -0.681139D+00
      4  -0.275302D+00 -0.411838D+01  0.835212D+01  0.116277D+02  0.546222D+01
      5   0.232317D+01 -0.517642D+01  0.100681D+02 -0.909144D+01  0.154957D+02
      6   0.232636D+02  0.546140D+01 -0.863352D+00 -0.779280D+01  0.132788D+01
                41            42            43            44            45 
      1   0.847815D+01  0.111718D+02 -0.155734D+01  0.122440D+02 -0.135082D+02
      2  -0.437045D+01 -0.109859D+02  0.254990D+00 -0.915038D+01  0.966587D+01
      3  -0.410770D+01 -0.185975D+00  0.130235D+01 -0.309363D+01  0.384230D+01
      4  -0.200493D+01  0.455420D+01  0.154768D+02  0.103873D+01 -0.421494D+01
      5   0.444329D+01 -0.977800D+01 -0.172713D+02 -0.226882D+01 -0.178781D+01
      6   0.588471D+00 -0.197189D+01 -0.446658D+01 -0.224767D+01  0.658883D+01
                46            47            48            49            50 
      1  -0.686890D+00 -0.571059D+01 -0.896671D+01 -0.864181D+01 -0.487574D+01
      2   0.478448D+01  0.203617D+01  0.125872D+02  0.343961D+01  0.458596D+01
      3  -0.409759D+01  0.367442D+01 -0.362049D+01  0.520220D+01  0.289776D+00
      4   0.600190D+01 -0.567145D+01 -0.697498D+01 -0.643809D+01  0.544724D+01
      5   0.248544D+01 -0.219392D+01 -0.787027D+01 -0.300834D+01  0.451662D+01
      6  -0.399147D+01  0.160965D+02  0.594173D+01  0.127861D+02 -0.237123D+01
                51            52            53            54            55 
      1  -0.200624D+01 -0.851147D+01 -0.457960D+01  0.449204D+01 -0.128170D+01
      2   0.416138D+01  0.113414D+02  0.725911D+01 -0.553259D+01  0.232420D+01
      3  -0.215514D+01 -0.282996D+01 -0.267952D+01  0.104054D+01 -0.104251D+01
      4   0.874363D+01 -0.113217D+02  0.101494D+02  0.444451D+01 -0.143842D+00
      5   0.505526D+01 -0.399532D+01  0.574719D+01  0.192119D+01 -0.155011D+01
      6  -0.641442D+01  0.694278D+01 -0.768738D+01 -0.408991D+01  0.345788D+01
                56            57            58            59            60 
      1   0.817774D+01  0.106026D+02  0.109855D+02  0.107004D+02  0.254283D+01
      2  -0.175894D+02 -0.155932D+02 -0.159251D+02 -0.226557D+02 -0.884119D+01
      3   0.941166D+01  0.499057D+01  0.493962D+01  0.119553D+02  0.629836D+01
      4  -0.542731D+01  0.313208D+01 -0.189031D+01 -0.115779D+02 -0.972832D+01
      5  -0.171293D+01 -0.334979D+01 -0.289354D+01 -0.375174D+01  0.216746D+01
      6  -0.163447D+02  0.995530D+01 -0.114010D+02 -0.840417D+01 -0.411960D+00
                61            62            63            64            65 
      1   0.112475D+02  0.552988D+01  0.186721D+01 -0.221486D+02 -0.235131D+02
      2  -0.152595D+02 -0.138283D+02 -0.229149D+01  0.191499D+02  0.129428D+02
      3   0.401201D+01  0.829846D+01  0.424275D+00  0.299876D+01  0.105703D+02
      4   0.528533D+01 -0.133095D+02  0.591985D+01 -0.236711D+02  0.435271D+01
      5  -0.369109D+01  0.192101D+01 -0.394441D+01 -0.705741D+01 -0.108826D+02
      6   0.994260D+01 -0.543017D+01  0.445457D+01 -0.320696D+01  0.402644D+01
                66            67            68            69            70 
      1  -0.890077D+01 -0.311648D+02  0.528200D+01 -0.158369D+02 -0.886712D+01
      2   0.747568D+01  0.171605D+02 -0.539757D+01  0.117982D+02  0.614791D+01
      3   0.142509D+01  0.140043D+02  0.115579D+00  0.403869D+01  0.271921D+01
      4  -0.816201D+01 -0.304699D+00  0.924132D+01 -0.521376D+01 -0.995315D+01
      5  -0.786970D+01 -0.139909D+02 -0.811160D+01  0.215008D+02 -0.127303D+02
      6   0.175950D+01  0.197212D+01  0.732930D+01 -0.149223D+02  0.790678D+01
                71            72            73            74            75 
      1  -0.153846D+02  0.391414D+00  0.189139D+01  0.223435D+01 -0.338225D+01
      2   0.118558D+02 -0.691757D+01 -0.348036D+01 -0.209936D+01  0.597639D+00
      3   0.352878D+01  0.652616D+01  0.158897D+01 -0.134982D+00  0.278461D+01
      4  -0.447198D+01  0.219256D+02  0.238677D+01  0.154156D+01 -0.832214D+00
      5   0.221586D+02  0.116540D+02 -0.301333D+01 -0.349859D+00  0.434145D+01
      6  -0.161445D+02 -0.323450D+01 -0.109421D+01  0.303224D+00 -0.110192D+01
                76            77            78            79            80 
      1   0.729172D+00 -0.179372D+01 -0.179290D+01 -0.195001D+01  0.428989D+00
      2   0.684903D+00 -0.115748D+01 -0.601472D+01  0.536806D+01 -0.418944D+01
      3  -0.141408D+01  0.295121D+01  0.780762D+01 -0.341805D+01  0.376045D+01
      4   0.245869D+01 -0.202104D+01 -0.190884D+01 -0.182683D+01 -0.265246D+01
      5   0.184695D+01 -0.183039D+01 -0.597222D+01  0.901472D+01 -0.151293D+01
      6  -0.726052D+00  0.175927D+01  0.367248D+01  0.116285D+01  0.496266D+01
                81            82            83            84            85 
      1  -0.161264D+02  0.413249D+02  0.112587D+02 -0.342946D+01  0.946059D+01
      2  -0.228564D+02 -0.167361D+02 -0.131683D+01  0.310293D+01 -0.199837D+00
      3   0.389828D+02 -0.245888D+02 -0.994187D+01  0.326534D+00 -0.926075D+01
      4   0.155944D+00  0.336638D+02  0.204113D+02 -0.557724D+01  0.182131D+02
      5  -0.216843D+02 -0.165593D+02 -0.778259D+01  0.927973D+01 -0.556164D+01
      6  -0.901380D+01 -0.807400D+01 -0.613739D+01  0.471039D+01 -0.412256D+01
                86            87            88            89            90 
      1   0.447611D+01 -0.145208D+01  0.415948D+01  0.104767D+00  0.221438D+01
      2   0.387246D+01  0.338518D+00 -0.229675D+00  0.828585D+00 -0.380329D+01
      3  -0.834857D+01  0.111357D+01 -0.392980D+01 -0.933351D+00  0.158890D+01
      4   0.140451D+02 -0.240018D+01  0.173968D+01  0.241910D+01  0.320001D+01
      5  -0.285210D+01  0.258315D+01  0.610521D+01  0.159516D+01 -0.291708D+01
      6  -0.383339D+01  0.302005D+01  0.286105D+01  0.154391D+01 -0.804405D+00
                91            92            93            94            95 
      1  -0.171791D+02  0.869991D+01  0.166310D+02  0.155522D+02 -0.118287D+02
      2   0.114369D+02 -0.156354D+02 -0.572601D+01 -0.242914D+02 -0.442572D+01
      3   0.574217D+01  0.693548D+01 -0.109050D+02  0.873919D+01  0.162544D+02
      4   0.948569D+01 -0.909962D+01 -0.127038D+02 -0.123798D+02 -0.164481D+02
      5   0.137669D+02 -0.181180D+02  0.563847D+01 -0.256304D+02 -0.221863D+01
      6  -0.769917D+01  0.142634D+00  0.132559D+02 -0.106071D+01  0.251042D+00
                96            97            98            99           100 
      1  -0.174827D+02  0.142249D+02 -0.145387D+02  0.188330D+02 -0.141173D+02
      2   0.831427D+01 -0.477683D+01  0.331692D+01 -0.502260D+01 -0.948805D-01
      3   0.916839D+01 -0.944803D+01  0.112217D+02 -0.138104D+02  0.142122D+02
      4  -0.909386D+01 -0.167611D+02 -0.110134D+02  0.732073D+01  0.119637D+02
      5   0.127436D+02  0.994634D+01  0.652665D+01 -0.172209D+01  0.832397D+00
      6   0.384369D+01  0.131081D+02  0.243392D+01  0.151532D+01 -0.672726D+00
               101           102           103           104           105 
      1   0.128385D+02 -0.317961D+01  0.154985D+02 -0.180815D+02 -0.159374D+02
      2   0.232276D+01 -0.544698D+01  0.204387D-01  0.110270D+02  0.591878D+01
      3  -0.151612D+02  0.862659D+01 -0.155189D+02  0.705445D+01  0.100187D+02
      4  -0.202082D+02 -0.119924D+02 -0.260310D+02 -0.324636D+01 -0.838830D+01
      5  -0.959876D+01  0.135367D+02 -0.125215D+02 -0.133230D+02 -0.445629D+01
      6  -0.652156D+01 -0.657925D+01 -0.101423D+02 -0.454817D+01 -0.576676D+01
               106           107           108           109           110 
      1   0.167365D+01 -0.184490D+02  0.191844D+02 -0.213116D+00  0.284358D+01
      2  -0.720854D+01  0.780617D+01 -0.770804D+01 -0.451591D+01  0.540471D+01
      3   0.553489D+01  0.106428D+02 -0.114763D+02  0.472902D+01 -0.824828D+01
      4  -0.173078D+02 -0.350257D+01 -0.275683D+01 -0.754277D+01 -0.566258D+01
      5   0.169405D+02 -0.591748D+01  0.457074D+01 -0.337810D+01 -0.136887D+02
      6  -0.940973D+01 -0.319480D+01  0.622948D+00 -0.799777D+01 -0.109206D+02
               111           112           113           114           115 
      1   0.463583D+01  0.773281D+00  0.743547D-01 -0.100649D+02  0.542410D+01
      2  -0.570848D+01  0.589641D+01  0.255454D+01 -0.577800D+01 -0.631159D+01
      3   0.107265D+01 -0.666969D+01 -0.262890D+01  0.158429D+02  0.887490D+00
      4  -0.857684D+01 -0.827119D+01 -0.285322D+01 -0.689694D+01 -0.751420D+01
      5  -0.218541D+01 -0.138491D+02 -0.848730D+01 -0.505934D+01 -0.455717D+01
      6  -0.116436D+02 -0.971965D+01 -0.485259D+01 -0.511661D+01 -0.803912D+01
               116           117           118           119           120 
      1  -0.101108D+02 -0.382356D+01  0.375876D+01  0.277738D+01  0.191078D+01
      2  -0.529511D+01  0.495802D+01 -0.159166D+01 -0.512234D+01 -0.836430D-01
      3   0.154059D+02 -0.113446D+01 -0.216710D+01  0.234495D+01 -0.182714D+01
      4  -0.543399D+01  0.338985D+01 -0.150809D+02  0.132322D+02  0.955605D+01
      5  -0.183370D+01 -0.180171D+01 -0.117632D+02  0.762250D+01  0.110631D+02
      6  -0.306942D+01  0.662478D+01  0.103311D+02 -0.995387D+01 -0.969528D+01
               121           122           123           124           125 
      1   0.399618D+01 -0.968711D+01 -0.584464D+01  0.246358D+01 -0.613384D+01
      2  -0.587281D+01  0.136497D+02  0.447844D+01 -0.633031D+00  0.338981D+01
      3   0.187663D+01 -0.396263D+01  0.136621D+01 -0.183055D+01  0.274404D+01
      4   0.111759D+02 -0.133944D+02 -0.804551D+01  0.861962D+01 -0.845453D+01
      5   0.612861D+01 -0.721166D+01 -0.601807D+01  0.982222D+01 -0.708739D+01
      6  -0.937785D+01  0.146940D+02  0.129518D+02 -0.967022D+01  0.138755D+02
               126           127           128           129           130 
      1  -0.835380D+01 -0.192877D+01 -0.779930D+01 -0.131066D+01 -0.532495D+01
      2  -0.897248D-01  0.832955D+01  0.187896D+02  0.331156D+01  0.126883D+02
      3   0.844352D+01 -0.640077D+01 -0.109903D+02 -0.200091D+01 -0.736339D+01
      4  -0.920237D+01  0.913276D+01  0.152674D+02  0.149020D+01  0.113894D+02
      5  -0.100731D+02  0.560735D+00  0.811252D+00  0.299701D+01  0.813448D-01
      6   0.157500D+02  0.999345D+00  0.290652D+01  0.188070D+01  0.235445D+01
               131           132           133           134           135 
      1  -0.326485D+02 -0.414576D+01 -0.242687D+01 -0.102824D+02 -0.557853D+01
      2   0.631178D+02  0.820304D+01  0.480496D+01  0.191350D+02  0.780703D+01
      3  -0.304693D+02 -0.405728D+01 -0.237809D+01 -0.885256D+01 -0.222850D+01
      4   0.185397D+02  0.324137D+01  0.337265D+01  0.637182D+01  0.269099D+01
      5   0.251886D+01  0.127551D+01  0.249618D+01  0.224253D+01  0.161996D+01
      6   0.739206D+01  0.855576D+01  0.166665D+01  0.112869D+02  0.608198D+01
               136           137           138           139           140 
      1   0.970597D+00  0.720724D+01 -0.483997D+01  0.366290D+01 -0.853300D+01
      2  -0.108945D-01 -0.957651D+01  0.476982D+01 -0.501265D+01  0.130701D+02
      3  -0.959702D+00  0.236926D+01  0.701492D-01  0.134975D+01 -0.453713D+01
      4  -0.110283D+02  0.821205D+01 -0.710373D+01  0.587458D+01 -0.496034D+01
      5   0.767698D+01 -0.270984D+01  0.589997D+01 -0.116703D+01  0.412834D+01
      6  -0.834881D+01  0.101221D+02 -0.106582D+02  0.691159D+01 -0.913357D+01
               141           142           143           144           145 
      1   0.558018D+01 -0.444314D+01  0.999545D+01 -0.105497D+02  0.183455D+01
      2  -0.543687D+01  0.290493D+01 -0.934475D+01  0.353869D+01 -0.583817D+00
      3  -0.143305D+00  0.153822D+01 -0.650704D+00  0.701101D+01 -0.125074D+01
      4   0.498013D+01 -0.800753D+01  0.630707D+01 -0.708872D+01 -0.517889D+00
      5  -0.239764D+01  0.749343D+01 -0.313905D+01  0.560235D+01  0.263946D+01
      6   0.988649D+01 -0.970831D+01  0.155295D+02 -0.201717D+02 -0.217689D+01
               146           147           148           149           150 
      1  -0.258513D+01  0.464930D+01 -0.318201D+01 -0.108561D+02  0.803093D+01
      2   0.164704D+01 -0.235519D+01 -0.121561D+01  0.201147D+02 -0.858026D+01
      3   0.938090D+00 -0.229410D+01  0.439762D+01 -0.925863D+01  0.549334D+00
      4   0.301003D+01 -0.164154D+01  0.118442D+02 -0.260354D+02  0.123067D+02
      5  -0.601913D+00  0.200725D+01 -0.367857D+01  0.135376D+02 -0.146043D+02
      6  -0.127534D+01  0.897047D+00  0.290637D+01 -0.160011D+02  0.142706D+02
               151           152           153           154           155 
      1   0.692844D+01  0.817192D+01 -0.727082D+01  0.635031D+02  0.120765D+02
      2  -0.292456D+01 -0.951742D+01  0.357311D+01 -0.371602D+02 -0.841268D+01
      3  -0.400388D+01  0.134550D+01  0.369771D+01 -0.263429D+02 -0.366380D+01
      4  -0.717055D+01  0.157776D+02 -0.131230D+02  0.365096D+01  0.943424D+01
      5   0.819278D+01 -0.147423D+02  0.143657D+02  0.148181D+02  0.323136D+01
      6  -0.397746D+01  0.153056D+02 -0.138878D+02 -0.886828D+00  0.392236D+00
               156           157           158           159           160 
      1   0.101993D+02  0.303627D+02  0.903348D+01  0.540182D+01  0.139611D+02
      2  -0.746488D+01 -0.180793D+02 -0.518219D+01 -0.464844D+01 -0.979094D+01
      3  -0.273440D+01 -0.122835D+02 -0.385129D+01 -0.753379D+00 -0.417013D+01
      4   0.126462D+01  0.902616D+01  0.992227D+01  0.280106D+01  0.137771D+01
      5   0.119870D+02  0.778846D+01  0.402785D+01  0.506009D+01  0.136708D+02
      6  -0.144102D+01  0.382885D+00  0.469032D+00  0.199191D+01 -0.134825D+01
               161           162           163           164           165 
      1   0.366682D+01  0.735447D+01  0.104433D+02 -0.199320D+01 -0.487027D+01
      2  -0.346279D+01 -0.556212D+01 -0.532981D+01 -0.698721D+00  0.154435D+01
      3  -0.204024D+00 -0.179235D+01 -0.511350D+01  0.269192D+01  0.332591D+01
      4   0.356967D+01 -0.837807D+00 -0.577497D+01  0.656520D+01  0.688120D+01
      5   0.453956D+00  0.603918D+01 -0.683466D+01  0.580529D+01  0.944979D+01
      6   0.323066D+01  0.697719D-01  0.408621D+01 -0.269223D+01 -0.341949D+01
               166           167           168           169           170 
      1  -0.284465D+01 -0.195109D+00  0.205545D+01 -0.129030D+02  0.342730D+01
      2  -0.164349D+01  0.622189D+01  0.146303D+01  0.584402D+01  0.176522D+01
      3   0.448814D+01 -0.602678D+01 -0.351849D+01  0.705901D+01 -0.519253D+01
      4   0.116369D+02 -0.153083D+02 -0.871853D+01  0.147328D+02 -0.148461D+02
      5   0.714898D+01 -0.773968D+01 -0.127444D+02  0.163647D+02 -0.145576D+02
      6  -0.406941D+01  0.621087D+01  0.103158D+02 -0.746237D+01  0.112352D+02
               171           172           173           174           175 
      1   0.167825D+01 -0.761236D+01  0.132916D+01 -0.110760D+02 -0.170902D+00
      2  -0.334256D+01  0.117567D+01  0.180594D+00 -0.291771D+00  0.171212D+01
      3   0.166431D+01  0.643670D+01 -0.150976D+01  0.113677D+02 -0.154122D+01
      4  -0.148551D+02 -0.457069D+01 -0.107942D+01  0.933838D+00  0.213717D+01
      5  -0.285614D+02  0.587033D+01  0.451279D+01 -0.318803D+01  0.292738D+01
      6   0.155036D+02  0.501970D+00  0.480521D+01 -0.666861D+01  0.225495D+01
               176           177           178           179           180 
      1  -0.461450D+01  0.772127D+01 -0.104360D+02  0.757057D+01 -0.238793D+02
      2   0.240729D+01 -0.188172D+01  0.227881D+01 -0.129892D+01 -0.810579D+01
      3   0.220721D+01 -0.583954D+01  0.815715D+01 -0.627165D+01  0.319851D+02
      4   0.306999D+01 -0.181168D+01 -0.166174D+01 -0.288208D+01  0.239619D+01
      5  -0.165900D+01  0.176571D+01  0.406974D+01  0.399597D+01 -0.161861D+02
      6  -0.516633D+01  0.813079D+01 -0.276279D+01  0.910312D+01 -0.151355D+02
               181           182           183           184           185 
      1   0.115464D+02  0.576885D+01 -0.309074D+00  0.892408D+01  0.207864D+01
      2  -0.162377D+01  0.394245D+01  0.949698D+00  0.521066D+01  0.197215D+02
      3  -0.992260D+01 -0.971130D+01 -0.640624D+00 -0.141347D+02 -0.218001D+02
      4   0.122273D+02  0.156736D+02  0.224429D+01  0.224231D+02  0.342353D+02
      5  -0.284776D+01  0.223214D+00  0.303487D+01 -0.164991D+01 -0.176458D+01
      6  -0.107991D+01 -0.302555D+01  0.315283D-01 -0.443178D+01 -0.896407D+01
               186           187           188           189           190 
      1   0.287309D+01  0.451380D+01  0.335882D+01 -0.104539D+01  0.462013D+02
      2   0.188011D+01  0.150303D+00  0.375264D+01  0.176769D+01 -0.311025D+02
      3  -0.475320D+01 -0.466410D+01 -0.711146D+01 -0.722298D+00 -0.150989D+02
      4   0.131707D+01  0.807266D+01  0.902313D+01  0.322776D+01 -0.557574D+01
      5   0.596731D+01  0.162991D+01  0.284517D+01  0.360110D+01 -0.293001D+02
      6   0.479294D+01 -0.553491D-01  0.207742D+01  0.154620D+01  0.319485D+01
               191           192           193           194           195 
      1  -0.102795D+02 -0.128796D+02 -0.220005D+02  0.885032D+01  0.654743D+01
      2   0.873258D+01  0.124105D+02  0.166055D+02 -0.447210D+01 -0.767262D+01
      3   0.154697D+01  0.469108D+00  0.539504D+01 -0.437821D+01  0.112519D+01
      4   0.100227D+02  0.235361D+01  0.105910D+02 -0.806025D+01 -0.275685D+01
      5   0.699816D+01  0.174898D+02  0.169688D+02 -0.663119D+01 -0.123124D+02
      6  -0.456566D+01 -0.141022D+01 -0.437469D+01  0.495583D+01  0.242617D+01
               196           197           198           199           200 
      1  -0.891556D+01  0.285776D+01  0.417140D+01 -0.620442D+01 -0.558388D+01
      2   0.972272D+01 -0.283217D+01 -0.796672D+01  0.293779D+01  0.179027D+01
      3  -0.807154D+00 -0.255939D-01  0.379532D+01  0.326663D+01  0.379361D+01
      4   0.277978D+01 -0.132781D+01 -0.254188D+01 -0.125357D+00  0.148433D+01
      5   0.143198D+02 -0.461313D+01 -0.118083D+02 -0.298621D+01  0.565176D+00
      6  -0.222454D+01  0.246608D+01  0.479241D+00 -0.186921D+01 -0.216355D+01
               201           202           203           204           205 
      1   0.857781D+01 -0.705583D+01 -0.470656D+01  0.784944D+01  0.801245D+01
      2   0.218223D+01  0.378728D+01  0.165383D+01  0.383277D+00 -0.181743D+01
      3  -0.107600D+02  0.326855D+01  0.305273D+01 -0.823272D+01 -0.619502D+01
      4   0.198096D+01  0.442587D+01 -0.296205D+01  0.448925D+01  0.845599D+00
      5  -0.359428D+01 -0.161877D+01  0.388576D+01 -0.508938D+01  0.343372D+01
      6   0.284596D+01 -0.621686D+00 -0.511582D+01  0.760030D+01  0.254822D+01
               206           207           208           209           210 
      1   0.887173D+01 -0.205612D+02  0.417258D+02 -0.159876D+02  0.169629D+00
      2  -0.105610D+01 -0.877519D+01 -0.171560D+02  0.344327D+01 -0.155716D+01
      3  -0.781562D+01  0.293364D+02 -0.245698D+02  0.125443D+02  0.138753D+01
      4   0.455300D+01 -0.482381D+01 -0.240557D+02  0.192447D+02  0.111967D+00
      5  -0.402946D+01  0.153615D+02  0.957295D+01 -0.311617D+01  0.716449D+01
      6   0.787115D+01 -0.959129D+01 -0.517753D+01  0.513402D+01 -0.125717D+01
               211           212           213           214           215 
      1  -0.227397D+02  0.123666D+02  0.142486D+01 -0.103842D+02  0.487257D+01
      2   0.621275D+01  0.425683D+00  0.144099D+01  0.376947D+01 -0.211889D+00
      3   0.165269D+02 -0.127923D+02 -0.286585D+01  0.661478D+01 -0.466068D+01
      4   0.240901D+02 -0.205176D+02  0.158921D+01  0.635884D+01 -0.436051D+01
      5  -0.540106D+01  0.477948D+01 -0.587234D+01  0.373883D+01 -0.250729D+01
      6   0.592499D+01 -0.460763D+01  0.371559D+01 -0.440557D+00  0.176769D+01
               216           217           218           219           220 
      1   0.176944D+01  0.167788D+02  0.632564D+01  0.550109D+01  0.136283D+02
      2  -0.849578D+00 -0.949218D+01 -0.484289D+01 -0.482874D+01 -0.903233D+01
      3  -0.919858D+00 -0.728665D+01 -0.148275D+01 -0.672346D+00 -0.459598D+01
      4  -0.362101D+01  0.950372D+01  0.127551D+02  0.579320D+01  0.177778D+02
      5  -0.260523D+01  0.120541D+02  0.795153D+01  0.857306D+01  0.152832D+02
      6   0.197404D+00  0.473064D+01  0.544039D+01  0.406094D+01  0.844604D+01
               221           222           223           224           225 
      1   0.731123D+01  0.428555D+01  0.433424D+01  0.273990D+01 -0.192621D+00
      2  -0.244184D+01 -0.646178D+01 -0.510983D+01 -0.385553D+01 -0.506427D+01
      3  -0.486938D+01  0.217623D+01  0.775589D+00  0.111562D+01  0.525689D+01
      4   0.210644D+02  0.923682D+01  0.615881D+01  0.611961D+01  0.649161D+01
      5   0.117333D+02  0.145075D+02  0.919106D+01  0.805589D+01  0.108233D+02
      6   0.123808D+02  0.843108D+01  0.482268D+01  0.656144D+01  0.500087D+01
               226           227           228           229           230 
      1   0.193281D+01  0.515431D+00  0.197746D+01 -0.112719D+00 -0.432704D+01
      2  -0.345125D+01 -0.202234D+01  0.239316D+01 -0.547190D+00 -0.329327D+01
      3   0.151845D+01  0.150691D+01 -0.437062D+01  0.659909D+00  0.762032D+01
      4   0.220290D+01  0.266059D+01  0.257724D+00  0.340247D+01 -0.203339D+01
      5  -0.540704D+01 -0.244869D+01  0.497365D+01 -0.395094D+01  0.219222D+01
      6  -0.269681D+01 -0.591503D+00  0.967997D+00 -0.294889D+00 -0.831131D+01
               231           232           233           234           235 
      1   0.844176D+01  0.984123D+00  0.581761D+01 -0.163317D+02  0.821771D+01
      2   0.792405D+01  0.718792D+00  0.552519D+01 -0.174391D+02 -0.593370D+01
      3  -0.163658D+02 -0.170292D+01 -0.113428D+02  0.337708D+02 -0.228400D+01
      4   0.298018D+01 -0.121304D-01  0.172267D+01 -0.200339D+01  0.139781D+02
      5  -0.394248D+01  0.601236D+01 -0.107851D+01  0.604783D+01  0.178241D+02
      6   0.100110D+02  0.165541D+01  0.836101D+01 -0.717680D+01  0.105090D+02
               236           237           238           239           240 
      1   0.750721D+00 -0.197221D+00  0.181347D+00 -0.517086D+01 -0.344617D+01
      2  -0.966169D+00 -0.493932D+01 -0.115194D+00  0.557853D+01 -0.641943D-01
      3   0.215447D+00  0.513654D+01 -0.661534D-01 -0.407663D+00  0.351037D+01
      4   0.119708D+02  0.849917D+01  0.123043D+02  0.133320D+02  0.847104D+01
      5   0.110469D+02  0.150429D+02  0.118353D+02  0.103224D+02  0.101096D+02
      6   0.962162D+01  0.986055D+01  0.104393D+02  0.145855D+02  0.127564D+02
               241           242           243 
      1  -0.162545D+01 -0.260215D+01 -0.465287D+01
      2  -0.295854D+01 -0.119110D+00 -0.504092D+01
      3   0.458398D+01  0.272126D+01  0.969380D+01
      4   0.569471D+01  0.515627D+01  0.606565D+01
      5   0.103223D+02  0.696333D+01  0.115414D+02
      6   0.754017D+01  0.909380D+01  0.962654D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 10 00:02:26 2021, MaxMem= 17179869184 cpu:           32954.1 elap:            2752.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25995 -10.37487 -10.31164 -10.31060 -10.30433
 Alpha  occ. eigenvalues --  -10.30127 -10.29769 -10.29604 -10.29031 -10.28775
 Alpha  occ. eigenvalues --  -10.28461  -1.14940  -0.99215  -0.90073  -0.85181
 Alpha  occ. eigenvalues --   -0.82114  -0.78654  -0.76991  -0.74234  -0.67610
 Alpha  occ. eigenvalues --   -0.64984  -0.59643  -0.57770  -0.57358  -0.54712
 Alpha  occ. eigenvalues --   -0.53293  -0.52197  -0.50608  -0.49207  -0.48630
 Alpha  occ. eigenvalues --   -0.47369  -0.46775  -0.45937  -0.44928  -0.44034
 Alpha  occ. eigenvalues --   -0.43493  -0.43377  -0.41819  -0.40495  -0.39234
 Alpha  occ. eigenvalues --   -0.38726  -0.31459
 Alpha virt. eigenvalues --    0.03353   0.04083   0.04333   0.04553   0.05838
 Alpha virt. eigenvalues --    0.06016   0.06096   0.06301   0.06537   0.06917
 Alpha virt. eigenvalues --    0.08297   0.08522   0.08831   0.09025   0.09419
 Alpha virt. eigenvalues --    0.10044   0.11327   0.11675   0.12471   0.12652
 Alpha virt. eigenvalues --    0.13212   0.13443   0.13915   0.14308   0.14653
 Alpha virt. eigenvalues --    0.15063   0.15209   0.15374   0.16133   0.16679
 Alpha virt. eigenvalues --    0.16994   0.17428   0.17811   0.18057   0.18321
 Alpha virt. eigenvalues --    0.18814   0.19032   0.19545   0.20112   0.20269
 Alpha virt. eigenvalues --    0.21180   0.21490   0.22155   0.22374   0.22745
 Alpha virt. eigenvalues --    0.23060   0.23379   0.23709   0.23833   0.24324
 Alpha virt. eigenvalues --    0.24433   0.24813   0.25974   0.26267   0.26535
 Alpha virt. eigenvalues --    0.26809   0.27312   0.27565   0.28393   0.29438
 Alpha virt. eigenvalues --    0.29530   0.29809   0.31080   0.31465   0.31591
 Alpha virt. eigenvalues --    0.32630   0.33365   0.34152   0.34179   0.34704
 Alpha virt. eigenvalues --    0.34965   0.35798   0.36365   0.36749   0.37364
 Alpha virt. eigenvalues --    0.38505   0.38593   0.38806   0.39711   0.40117
 Alpha virt. eigenvalues --    0.40612   0.41395   0.41912   0.42159   0.42992
 Alpha virt. eigenvalues --    0.43522   0.43922   0.44408   0.45060   0.45474
 Alpha virt. eigenvalues --    0.46061   0.46193   0.46462   0.46887   0.47227
 Alpha virt. eigenvalues --    0.47878   0.48435   0.48668   0.49680   0.49981
 Alpha virt. eigenvalues --    0.50343   0.50578   0.51176   0.51886   0.52982
 Alpha virt. eigenvalues --    0.53621   0.54205   0.55543   0.56238   0.56410
 Alpha virt. eigenvalues --    0.57029   0.57450   0.58145   0.58626   0.59289
 Alpha virt. eigenvalues --    0.60435   0.60836   0.61338   0.61670   0.62056
 Alpha virt. eigenvalues --    0.62419   0.62867   0.63069   0.64010   0.64155
 Alpha virt. eigenvalues --    0.64496   0.65066   0.65758   0.66636   0.67153
 Alpha virt. eigenvalues --    0.67689   0.68491   0.69163   0.69298   0.69836
 Alpha virt. eigenvalues --    0.70959   0.71385   0.72135   0.72299   0.73036
 Alpha virt. eigenvalues --    0.73228   0.73732   0.74316   0.74635   0.75246
 Alpha virt. eigenvalues --    0.75732   0.76068   0.76604   0.77736   0.78573
 Alpha virt. eigenvalues --    0.78898   0.79860   0.79968   0.80495   0.81263
 Alpha virt. eigenvalues --    0.81684   0.82488   0.82862   0.83550   0.83826
 Alpha virt. eigenvalues --    0.84695   0.85669   0.86579   0.86709   0.87560
 Alpha virt. eigenvalues --    0.88000   0.89082   0.89402   0.90411   0.90968
 Alpha virt. eigenvalues --    0.91312   0.92985   0.94036   0.94655   0.95008
 Alpha virt. eigenvalues --    0.95882   0.96922   0.97791   0.98331   0.99766
 Alpha virt. eigenvalues --    1.01551   1.02151   1.03535   1.04683   1.04843
 Alpha virt. eigenvalues --    1.05602   1.06075   1.07462   1.08049   1.08762
 Alpha virt. eigenvalues --    1.10035   1.12243   1.12841   1.14320   1.14663
 Alpha virt. eigenvalues --    1.16333   1.17467   1.19147   1.19659   1.21106
 Alpha virt. eigenvalues --    1.21479   1.22384   1.24204   1.24795   1.27229
 Alpha virt. eigenvalues --    1.29100   1.29679   1.30879   1.31412   1.33115
 Alpha virt. eigenvalues --    1.36330   1.36465   1.37374   1.39365   1.40173
 Alpha virt. eigenvalues --    1.42095   1.43220   1.45738   1.46186   1.46855
 Alpha virt. eigenvalues --    1.48184   1.49795   1.51802   1.53083   1.54133
 Alpha virt. eigenvalues --    1.56247   1.58358   1.59411   1.60175   1.60662
 Alpha virt. eigenvalues --    1.62031   1.63627   1.65210   1.66325   1.66935
 Alpha virt. eigenvalues --    1.68193   1.70385   1.71309   1.72461   1.72635
 Alpha virt. eigenvalues --    1.74488   1.75611   1.76321   1.76732   1.77344
 Alpha virt. eigenvalues --    1.78864   1.80533   1.80669   1.81562   1.83959
 Alpha virt. eigenvalues --    1.84779   1.85724   1.85918   1.87283   1.88272
 Alpha virt. eigenvalues --    1.90846   1.91437   1.92117   1.93039   1.93692
 Alpha virt. eigenvalues --    1.94476   1.95657   1.97788   1.98072   1.98735
 Alpha virt. eigenvalues --    2.00353   2.01866   2.02399   2.03836   2.04980
 Alpha virt. eigenvalues --    2.05405   2.07462   2.07765   2.09531   2.10627
 Alpha virt. eigenvalues --    2.10997   2.12013   2.13762   2.14383   2.16445
 Alpha virt. eigenvalues --    2.17126   2.20078   2.20394   2.22123   2.22147
 Alpha virt. eigenvalues --    2.23646   2.25243   2.26938   2.28797   2.29598
 Alpha virt. eigenvalues --    2.31198   2.31556   2.32661   2.35041   2.35373
 Alpha virt. eigenvalues --    2.35785   2.37227   2.39568   2.39709   2.41149
 Alpha virt. eigenvalues --    2.42671   2.44032   2.44576   2.44857   2.46370
 Alpha virt. eigenvalues --    2.47832   2.49369   2.51405   2.52282   2.54445
 Alpha virt. eigenvalues --    2.55816   2.56401   2.58225   2.59896   2.61066
 Alpha virt. eigenvalues --    2.62084   2.62729   2.64236   2.66330   2.67215
 Alpha virt. eigenvalues --    2.68737   2.70023   2.71173   2.72270   2.74406
 Alpha virt. eigenvalues --    2.75525   2.76790   2.79337   2.81465   2.82038
 Alpha virt. eigenvalues --    2.87524   2.91061   2.92156   2.93508   2.94815
 Alpha virt. eigenvalues --    2.96063   2.99772   3.02138   3.07219   3.08187
 Alpha virt. eigenvalues --    3.20809   3.22890   3.28720   3.34415   3.36448
 Alpha virt. eigenvalues --    3.47909   3.60481   3.64063   3.67994   3.78776
 Alpha virt. eigenvalues --    3.91028   4.09386   4.20194   4.58453   5.03926
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.752132  -0.425831  -1.790130   0.054191   0.553607  -0.070335
     2  C   -0.425831   7.243240  -0.244510   0.074273   0.108015   0.699193
     3  C   -1.790130  -0.244510  11.022070  -0.446695  -2.286042  -1.459638
     4  O    0.054191   0.074273  -0.446695   8.843192  -0.021859   0.053910
     5  C    0.553607   0.108015  -2.286042  -0.021859  14.561915  -3.137579
     6  C   -0.070335   0.699193  -1.459638   0.053910  -3.137579  16.652656
     7  C    0.675185  -1.388343  -0.095748   0.003780   0.416095  -1.790537
     8  C   -0.407143  -0.265435  -0.206303  -0.083752  -0.101393   0.321896
     9  H    0.027120  -0.541137  -0.255729   0.027017   0.131576  -0.155453
    10  H    0.162046  -0.398254   0.346197  -0.010627  -0.143456  -0.015292
    11  C   -0.137626  -0.074320   0.061158   0.019964  -0.688954  -0.616712
    12  C   -0.349567   0.071485   0.168378   0.122809  -2.042600   0.654774
    13  C   -0.690898  -0.585784   0.123758   0.014552   0.202586  -3.261425
    14  H   -0.269423  -0.000988   0.362766  -0.003632   0.300614  -2.950931
    15  H    0.033992   0.192287  -0.159711  -0.001434   0.289582   0.032326
    16  H   -0.313293   0.494434   0.264410  -0.005442  -0.318129   0.006363
    17  H    0.168547   0.006762   0.123257   0.009891  -0.030414   0.094523
    18  H    0.175683   0.121951  -0.259128   0.014933   0.045569   0.025407
    19  H    0.090440  -0.135590   0.139972  -0.026070   0.032158  -0.144706
    20  H   -0.092110   0.068222  -0.074616   0.029377   0.607750  -0.093807
    21  H    0.031640   0.002264   0.084050   0.000447  -0.285687   0.040899
    22  H    0.017307  -0.055598   0.012442  -0.011224   0.070751  -0.026163
    23  H   -0.184555   0.025276  -0.249574   0.060708  -0.050146   0.006117
    24  H    0.148904  -0.083097  -0.013419  -0.011494   0.247096  -0.168983
    25  H   -0.099506   0.076257   0.385209  -0.050332  -0.009841  -0.099511
    26  H    0.236462   0.112666  -0.110963  -0.012813  -0.164031   0.305847
    27  H   -0.036555  -0.108943   0.144689   0.001876   0.268885  -0.393420
               7          8          9         10         11         12
     1  C    0.675185  -0.407143   0.027120   0.162046  -0.137626  -0.349567
     2  C   -1.388343  -0.265435  -0.541137  -0.398254  -0.074320   0.071485
     3  C   -0.095748  -0.206303  -0.255729   0.346197   0.061158   0.168378
     4  O    0.003780  -0.083752   0.027017  -0.010627   0.019964   0.122809
     5  C    0.416095  -0.101393   0.131576  -0.143456  -0.688954  -2.042600
     6  C   -1.790537   0.321896  -0.155453  -0.015292  -0.616712   0.654774
     7  C    7.637738  -0.003431   0.203614   0.181993  -0.119812  -0.144466
     8  C   -0.003431   6.017236   0.098023  -0.275278   0.008726  -0.104684
     9  H    0.203614   0.098023   2.761869  -0.845117   0.059314  -0.060362
    10  H    0.181993  -0.275278  -0.845117   2.706413  -0.030923   0.073408
    11  C   -0.119812   0.008726   0.059314  -0.030923   5.803054  -0.409730
    12  C   -0.144466  -0.104684  -0.060362   0.073408  -0.409730   6.466851
    13  C    0.011874  -0.363849   0.185026  -0.096609   0.469623  -0.245768
    14  H    0.417806  -0.030182  -0.012061   0.019614   0.048152  -0.012184
    15  H   -0.274716   0.019290   0.196689  -0.407437  -0.003859  -0.044732
    16  H   -0.680055  -0.036929  -0.367641   0.224075   0.026368  -0.003561
    17  H   -0.059130  -0.050270  -0.003572   0.018282  -0.019405   0.001071
    18  H    0.011714  -0.140630   0.030354  -0.043204   0.003866   0.005943
    19  H    0.067159   0.326951  -0.026168  -0.008216   0.015708  -0.027314
    20  H   -0.017458  -0.006770   0.007765  -0.000100   0.011380  -0.152540
    21  H   -0.049988  -0.004552   0.004176  -0.001386   0.167679   0.186965
    22  H    0.080933   0.008742  -0.001776  -0.002550   0.060998   0.002231
    23  H    0.056002  -0.052490  -0.045241   0.024483  -0.009048   0.291832
    24  H    0.079608   0.013327   0.008801  -0.009004   0.034332  -0.189806
    25  H   -0.072908   0.004966  -0.004837   0.009617  -0.023725   0.156038
    26  H   -0.078365  -0.075207  -0.010011   0.036693  -0.084339   0.088480
    27  H    0.050024  -0.044822   0.028789  -0.053881   0.033022  -0.039561
              13         14         15         16         17         18
     1  C   -0.690898  -0.269423   0.033992  -0.313293   0.168547   0.175683
     2  C   -0.585784  -0.000988   0.192287   0.494434   0.006762   0.121951
     3  C    0.123758   0.362766  -0.159711   0.264410   0.123257  -0.259128
     4  O    0.014552  -0.003632  -0.001434  -0.005442   0.009891   0.014933
     5  C    0.202586   0.300614   0.289582  -0.318129  -0.030414   0.045569
     6  C   -3.261425  -2.950931   0.032326   0.006363   0.094523   0.025407
     7  C    0.011874   0.417806  -0.274716  -0.680055  -0.059130   0.011714
     8  C   -0.363849  -0.030182   0.019290  -0.036929  -0.050270  -0.140630
     9  H    0.185026  -0.012061   0.196689  -0.367641  -0.003572   0.030354
    10  H   -0.096609   0.019614  -0.407437   0.224075   0.018282  -0.043204
    11  C    0.469623   0.048152  -0.003859   0.026368  -0.019405   0.003866
    12  C   -0.245768  -0.012184  -0.044732  -0.003561   0.001071   0.005943
    13  C    8.817384   0.509555   0.081094   0.127255  -0.089953   0.128474
    14  H    0.509555   3.473795  -0.109699   0.080372   0.002562  -0.001686
    15  H    0.081094  -0.109699   2.433948  -0.849870  -0.011491   0.010901
    16  H    0.127255   0.080372  -0.849870   2.773546   0.004338  -0.008741
    17  H   -0.089953   0.002562  -0.011491   0.004338   1.647799  -0.396432
    18  H    0.128474  -0.001686   0.010901  -0.008741  -0.396432   1.787479
    19  H   -0.018017  -0.003674   0.003259   0.001505  -0.289632  -0.361916
    20  H   -0.020181  -0.014201  -0.008022   0.007509   0.008391   0.001860
    21  H   -0.023941   0.019347   0.004150  -0.015463  -0.007359   0.000358
    22  H    0.060549  -0.014717  -0.000021   0.015829   0.002124  -0.000201
    23  H    0.134210   0.011644  -0.011900   0.070140  -0.005063  -0.000005
    24  H    0.045725  -0.009466   0.018046  -0.030465   0.000048   0.000624
    25  H   -0.069756   0.014577  -0.011940   0.016188   0.004603  -0.000289
    26  H   -0.592234   0.003365   0.040091  -0.019362  -0.067761   0.041691
    27  H   -0.143791  -0.008071  -0.070041   0.049025   0.046852  -0.057577
              19         20         21         22         23         24
     1  C    0.090440  -0.092110   0.031640   0.017307  -0.184555   0.148904
     2  C   -0.135590   0.068222   0.002264  -0.055598   0.025276  -0.083097
     3  C    0.139972  -0.074616   0.084050   0.012442  -0.249574  -0.013419
     4  O   -0.026070   0.029377   0.000447  -0.011224   0.060708  -0.011494
     5  C    0.032158   0.607750  -0.285687   0.070751  -0.050146   0.247096
     6  C   -0.144706  -0.093807   0.040899  -0.026163   0.006117  -0.168983
     7  C    0.067159  -0.017458  -0.049988   0.080933   0.056002   0.079608
     8  C    0.326951  -0.006770  -0.004552   0.008742  -0.052490   0.013327
     9  H   -0.026168   0.007765   0.004176  -0.001776  -0.045241   0.008801
    10  H   -0.008216  -0.000100  -0.001386  -0.002550   0.024483  -0.009004
    11  C    0.015708   0.011380   0.167679   0.060998  -0.009048   0.034332
    12  C   -0.027314  -0.152540   0.186965   0.002231   0.291832  -0.189806
    13  C   -0.018017  -0.020181  -0.023941   0.060549   0.134210   0.045725
    14  H   -0.003674  -0.014201   0.019347  -0.014717   0.011644  -0.009466
    15  H    0.003259  -0.008022   0.004150  -0.000021  -0.011900   0.018046
    16  H    0.001505   0.007509  -0.015463   0.015829   0.070140  -0.030465
    17  H   -0.289632   0.008391  -0.007359   0.002124  -0.005063   0.000048
    18  H   -0.361916   0.001860   0.000358  -0.000201  -0.000005   0.000624
    19  H    1.436007  -0.006646   0.002854   0.001598  -0.003373   0.001823
    20  H   -0.006646   1.980843  -0.423007  -0.444749  -0.054090   0.014033
    21  H    0.002854  -0.423007   1.766666  -0.433455   0.031089   0.020496
    22  H    0.001598  -0.444749  -0.433455   1.848364   0.028738  -0.052403
    23  H   -0.003373  -0.054090   0.031089   0.028738   2.097267  -0.493085
    24  H    0.001823   0.014033   0.020496  -0.052403  -0.493085   1.996457
    25  H   -0.003781   0.036170  -0.028929  -0.017941  -0.493507  -0.404802
    26  H    0.002522  -0.121683   0.022321   0.015099   0.030518  -0.000932
    27  H   -0.003884   0.046588  -0.008084   0.001098  -0.012674   0.003178
              25         26         27
     1  C   -0.099506   0.236462  -0.036555
     2  C    0.076257   0.112666  -0.108943
     3  C    0.385209  -0.110963   0.144689
     4  O   -0.050332  -0.012813   0.001876
     5  C   -0.009841  -0.164031   0.268885
     6  C   -0.099511   0.305847  -0.393420
     7  C   -0.072908  -0.078365   0.050024
     8  C    0.004966  -0.075207  -0.044822
     9  H   -0.004837  -0.010011   0.028789
    10  H    0.009617   0.036693  -0.053881
    11  C   -0.023725  -0.084339   0.033022
    12  C    0.156038   0.088480  -0.039561
    13  C   -0.069756  -0.592234  -0.143791
    14  H    0.014577   0.003365  -0.008071
    15  H   -0.011940   0.040091  -0.070041
    16  H    0.016188  -0.019362   0.049025
    17  H    0.004603  -0.067761   0.046852
    18  H   -0.000289   0.041691  -0.057577
    19  H   -0.003781   0.002522  -0.003884
    20  H    0.036170  -0.121683   0.046588
    21  H   -0.028929   0.022321  -0.008084
    22  H   -0.017941   0.015099   0.001098
    23  H   -0.493507   0.030518  -0.012674
    24  H   -0.404802  -0.000932   0.003178
    25  H    1.820152  -0.014561   0.003379
    26  H   -0.014561   3.022874  -1.080143
    27  H    0.003379  -1.080143   2.862748
 Mulliken charges:
               1
     1  C   -1.260286
     2  C    1.011504
     3  C    0.413851
     4  O   -0.645545
     5  C   -2.556068
     6  C    1.490580
     7  C    0.881427
     8  C    1.433963
     9  H   -0.441027
    10  H   -0.461488
    11  C    1.395111
    12  C    1.536611
    13  C    1.290541
    14  H   -0.823255
    15  H   -0.390781
    16  H   -0.512406
    17  H   -0.108567
    18  H   -0.136998
    19  H   -0.062971
    20  H   -0.289907
    21  H   -0.103552
    22  H   -0.166004
    23  H   -0.203273
    24  H   -0.165543
    25  H   -0.120989
    26  H   -0.526224
    27  H   -0.478706
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -1.260286
     2  C    0.108989
     3  C    0.413851
     4  O   -0.645545
     5  C   -2.556068
     6  C    0.667325
     7  C   -0.021759
     8  C    1.125426
    11  C    0.835648
    12  C    1.046806
    13  C    0.285611
 Electronic spatial extent (au):  <R**2>=           1533.3546
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.1328    Y=              2.7256    Z=              1.3398  Tot=              3.0400
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -66.1438   YY=            -74.3900   ZZ=            -68.7050
   XY=              0.1969   XZ=             -0.1373   YZ=             -3.4464
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.6024   YY=             -4.6438   ZZ=              1.0413
   XY=              0.1969   XZ=             -0.1373   YZ=             -3.4464
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.6566  YYY=              9.8253  ZZZ=             -2.7965  XYY=              0.9185
  XXY=             -0.7379  XXZ=             -0.6595  XZZ=              0.4284  YZZ=              0.5480
  YYZ=              8.3850  XYZ=              0.3801
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1020.4598 YYYY=           -674.9222 ZZZZ=           -426.4262 XXXY=              5.0515
 XXXZ=             -1.0448 YYYX=              3.5460 YYYZ=             -8.0709 ZZZX=             -0.6089
 ZZZY=             -0.0362 XXYY=           -270.9904 XXZZ=           -245.2754 YYZZ=           -183.8265
 XXYZ=              7.6961 YYXZ=              1.7703 ZZXY=             -2.3993
 N-N= 6.829745581411D+02 E-N=-2.447534708727D+03  KE= 4.629098932607D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 10 00:02:27 2021, MaxMem= 17179869184 cpu:               4.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.82447321D-02 1.04099750D+00 5.10077616D-01
 Polarizability= 1.21387498D+02 3.37562485D-01 1.11184692D+02
                -3.60707790D-01 3.24921191D-01 1.02705121D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2410    0.2415        0.0841    0.0820
 2     -0.2410   -0.2415       -0.3488   -0.3504       -4.9995   -5.0001
 3     -0.0841   -0.0820        9.5215    9.5196        0.3498    0.3504
 4      0.3488    0.3504       -0.0000    0.0000       -0.0833   -0.0820
 5     -4.5220   -4.5195        0.0833    0.0820        0.2407    0.2415
 6     -0.3498   -0.3504       -0.2407   -0.2415        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.7245   -0.7245        0.2460    0.2460
 2      1.0512    1.0512        0.0000    0.0000        0.2460    0.2460
 3      1.0512    1.0512       -0.7245   -0.7245        0.0000    0.0000
 4     -0.7245   -0.7245       -1.0512   -1.0512      -15.0002  -15.0002
 5     -0.2460   -0.2460       28.5588   28.5588        1.0512    1.0512
 6    -13.5586  -13.5586        0.2460    0.2460        0.7245    0.7245
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5764    0.0000       -1.1751   -0.9660        0.5577   -0.3280
 2      0.6721    0.9660        0.7539    1.4016       20.3164   20.0002
 3     -0.0038    0.3280      -38.0402  -38.0784       -1.3499   -1.4016
 4     -1.3097   -1.4016        0.1066    0.0000        0.5917    0.3280
 5     17.6352   18.0781       -0.0544   -0.3280       -0.9183   -0.9660
 6      1.4257    1.4016        1.1065    0.9660        0.0354    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3754    0.0000        4.0752    4.0299       -0.0118   -0.3069
 2     -3.3701   -4.0299       -7.9823   -7.7746        2.1377    3.6480
 3      0.5516    0.3069       -8.9084   -8.0370        8.8008    7.7746
 4      8.1168    7.7746        0.3603    0.0000       -0.1644    0.3069
 5      3.8531    4.3889        0.1917   -0.3069        4.0001    4.0299
 6     -8.4803   -7.7746       -3.9223   -4.0299        0.1553    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     14.6324   14.6742        7.0428    7.4083       23.6140   22.7263
 2     22.8646   22.9670        9.5289    9.5362       23.2153   22.7263
 3     22.6820   22.9670        7.2738    7.4083       25.0890   24.8110
 4     -1.1032   -2.1279       -9.2946   -8.2929       -3.8253   -3.2707
 5      2.1182    2.0846       -0.3448    0.7553       10.0239    8.2929
 6      2.4989    2.5153       -2.0622   -2.0846        2.1129    2.1279
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.4005   -0.0007   -0.0006   -0.0003    3.7544   15.3380
 Low frequencies ---   85.8825  183.8728  192.4763
 Diagonal vibrational polarizability:
        6.0533555       4.7483213       9.1681537
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     85.8818               183.8699               192.4735
 Red. masses --      3.9284                 1.5182                 1.1173
 Frc consts  --      0.0171                 0.0302                 0.0244
 IR Inten    --      2.3323                 1.0316                 0.0375
 RamAct Fr= 1--      0.2286                 0.4963                 0.0904
  Dep-P Fr= 1--      0.6465                 0.6748                 0.6360
  Dep-U Fr= 1--      0.7853                 0.8058                 0.7775
 Alpha2 Fr= 1--      0.0004                 0.0007                 0.0002
 Beta2  Fr= 1--      0.0299                 0.0667                 0.0117
 AlphaG Fr= 1--     -0.0030                 0.0009                 0.0025
 Gamma2 Fr= 1--      0.1943                 0.0892                -0.0750
 Delta2 Fr= 1--      0.0430                 0.0974                -0.0726
 Raman1 Fr= 1--       0.914                  1.985                  0.362
 ROA1   Fr= 1--      20.026                 11.678                 -9.527
 CID1   Fr= 1--      21.898                  5.883                -26.338
 Raman2 Fr= 1--       0.359                  0.800                  0.141
 ROA2   Fr= 1--       4.318                  1.361                 -1.220
 CID2   Fr= 1--      12.025                  1.701                 -8.674
 Raman3 Fr= 1--       0.718                  1.600                  0.281
 ROA3   Fr= 1--      20.026                 11.678                 -9.527
 CID3   Fr= 1--      27.886                  7.301                -33.875
 RC180  Fr= 1--       0.571                  0.612                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.06    -0.00   0.01  -0.02     0.00   0.00  -0.01
     2   6    -0.09   0.05  -0.03     0.05   0.03   0.02     0.04   0.02   0.03
     3   6     0.00  -0.05   0.06    -0.01   0.01  -0.02    -0.00   0.00  -0.00
     4   8    -0.02  -0.15   0.25    -0.01  -0.06   0.11     0.00   0.01  -0.02
     5   6     0.01   0.00  -0.01    -0.01   0.02  -0.04    -0.00  -0.01   0.02
     6   6     0.01  -0.03   0.06    -0.00   0.02  -0.03     0.00  -0.01  -0.00
     7   6    -0.02   0.05   0.11     0.03   0.02  -0.01    -0.02  -0.01  -0.02
     8   6     0.05   0.07  -0.18    -0.02  -0.01  -0.00    -0.00  -0.01  -0.03
     9   1    -0.21   0.08  -0.03     0.10   0.07   0.00     0.13   0.05   0.02
    10   1    -0.07   0.03  -0.14     0.05   0.03   0.08     0.02   0.05   0.13
    11   6    -0.13   0.04  -0.09     0.06  -0.05  -0.03    -0.02   0.03   0.03
    12   6     0.14   0.05  -0.10    -0.07   0.03   0.02     0.00  -0.03   0.00
    13   6     0.03  -0.06  -0.00    -0.02  -0.00  -0.02    -0.00  -0.01  -0.00
    14   1     0.02  -0.09   0.12    -0.01   0.02  -0.03     0.00  -0.00  -0.00
    15   1     0.04  -0.01   0.18     0.01   0.02   0.01    -0.08   0.03  -0.06
    16   1    -0.05   0.16   0.18     0.06   0.03  -0.03    -0.03  -0.09  -0.05
    17   1     0.13   0.02  -0.22    -0.18  -0.22  -0.26    -0.15  -0.27  -0.34
    18   1     0.04   0.09  -0.19    -0.09  -0.09   0.35    -0.08  -0.09   0.37
    19   1     0.03   0.14  -0.22     0.20   0.26  -0.09     0.23   0.33  -0.15
    20   1    -0.24   0.10  -0.01     0.17  -0.29  -0.16    -0.10   0.27   0.14
    21   1    -0.06   0.02  -0.09    -0.11   0.06  -0.14     0.16  -0.08   0.15
    22   1    -0.17   0.05  -0.24     0.18   0.01   0.21    -0.14  -0.04  -0.17
    23   1     0.26  -0.03  -0.07    -0.18   0.30   0.08     0.05  -0.26  -0.08
    24   1     0.19   0.14  -0.20    -0.22  -0.20   0.14     0.14   0.16  -0.07
    25   1     0.08   0.09  -0.11     0.13  -0.02  -0.14    -0.18   0.00   0.16
    26   1     0.05  -0.13  -0.05    -0.03   0.00  -0.02    -0.01  -0.01  -0.00
    27   1     0.03  -0.09   0.03    -0.01  -0.01  -0.01     0.00  -0.01   0.00
                      4                      5                      6
                      A                      A                      A
 Frequencies --    201.9105               211.2997               230.9026
 Red. masses --      1.7345                 1.7310                 1.2160
 Frc consts  --      0.0417                 0.0455                 0.0382
 IR Inten    --      0.6718                 0.6538                 0.8343
 RamAct Fr= 1--      0.6903                 0.3246                 0.1918
  Dep-P Fr= 1--      0.7475                 0.7198                 0.6120
  Dep-U Fr= 1--      0.8555                 0.8371                 0.7593
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0005
 Beta2  Fr= 1--      0.0984                 0.0453                 0.0243
 AlphaG Fr= 1--     -0.0004                -0.0007                 0.0009
 Gamma2 Fr= 1--     -0.0646                 0.1255                -0.0056
 Delta2 Fr= 1--     -0.1040                -0.0027                -0.0707
 Raman1 Fr= 1--       2.761                  1.299                  0.767
 ROA1   Fr= 1--      -9.534                 11.966                 -2.797
 CID1   Fr= 1--      -3.453                  9.215                 -3.645
 Raman2 Fr= 1--       1.181                  0.544                  0.291
 ROA2   Fr= 1--      -0.719                  3.034                  0.432
 CID2   Fr= 1--      -0.609                  5.583                  1.482
 Raman3 Fr= 1--       2.362                  1.087                  0.583
 ROA3   Fr= 1--      -9.534                 11.966                 -2.797
 CID3   Fr= 1--      -4.036                 11.008                 -4.800
 RC180  Fr= 1--       0.711                  0.674                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01    -0.01  -0.03   0.02    -0.00  -0.00  -0.00
     2   6     0.00  -0.01  -0.02    -0.10  -0.10  -0.08    -0.04  -0.04  -0.05
     3   6     0.00  -0.00  -0.02     0.00  -0.04   0.01    -0.00   0.01   0.00
     4   8     0.01  -0.04   0.06    -0.00   0.01  -0.08    -0.03   0.02   0.01
     5   6     0.00   0.00  -0.02     0.01  -0.01   0.01     0.01   0.02   0.00
     6   6    -0.00  -0.01  -0.01     0.01  -0.01   0.02     0.01   0.02   0.01
     7   6    -0.02  -0.02  -0.04     0.01  -0.02   0.01     0.04   0.02   0.02
     8   6     0.00   0.01   0.06     0.07   0.09   0.08    -0.01  -0.00   0.04
     9   1     0.02  -0.02  -0.02    -0.29  -0.18  -0.03    -0.17  -0.08  -0.03
    10   1    -0.01   0.01  -0.01    -0.07  -0.13  -0.30    -0.01  -0.07  -0.18
    11   6     0.05  -0.12  -0.07    -0.03   0.03   0.01     0.03  -0.06  -0.03
    12   6    -0.05   0.16   0.05     0.03   0.05   0.01    -0.00   0.01   0.01
    13   6    -0.00   0.01  -0.02     0.01  -0.00   0.01     0.01   0.01  -0.00
    14   1    -0.01  -0.00  -0.02     0.01  -0.01   0.01     0.02   0.03   0.01
    15   1    -0.04   0.00  -0.06     0.11  -0.08   0.04     0.12  -0.04   0.06
    16   1    -0.03  -0.05  -0.04    -0.01   0.08   0.06     0.04   0.11   0.05
    17   1     0.01   0.09   0.14     0.03  -0.08  -0.12    -0.06  -0.03   0.01
    18   1     0.00   0.04  -0.00    -0.07   0.16   0.40    -0.03  -0.01   0.13
    19   1     0.00  -0.09   0.11     0.36   0.33   0.03     0.06   0.03   0.04
    20   1     0.05  -0.09  -0.06     0.03  -0.18  -0.07    -0.09   0.31   0.13
    21   1     0.18  -0.14  -0.12    -0.25   0.14  -0.06     0.45  -0.25   0.06
    22   1    -0.03  -0.24  -0.07     0.12   0.16   0.16    -0.24  -0.31  -0.33
    23   1    -0.01  -0.15  -0.07     0.07   0.03   0.02    -0.06   0.24   0.09
    24   1     0.26   0.51   0.09     0.08   0.10   0.01    -0.16  -0.19   0.08
    25   1    -0.47   0.31   0.23    -0.03   0.09  -0.01     0.20  -0.04  -0.13
    26   1     0.01   0.02  -0.01     0.02   0.01   0.02     0.02   0.02   0.00
    27   1     0.00   0.02  -0.03     0.02   0.00  -0.02     0.02   0.01  -0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    261.9692               294.6577               301.5279
 Red. masses --      2.2925                 3.5742                 2.4436
 Frc consts  --      0.0927                 0.1828                 0.1309
 IR Inten    --      0.2854                 5.0270                 0.6846
 RamAct Fr= 1--      1.7810                 0.9569                 0.4674
  Dep-P Fr= 1--      0.4102                 0.6825                 0.7495
  Dep-U Fr= 1--      0.5818                 0.8113                 0.8568
 Alpha2 Fr= 1--      0.0127                 0.0011                 0.0000
 Beta2  Fr= 1--      0.1727                 0.1294                 0.0667
 AlphaG Fr= 1--     -0.0006                 0.0008                 0.0001
 Gamma2 Fr= 1--      0.3407                -0.2128                -0.9398
 Delta2 Fr= 1--      0.1622                 0.0775                -0.1861
 Raman1 Fr= 1--       7.124                  3.828                  1.870
 ROA1   Fr= 1--      37.901                -17.950                -96.173
 CID1   Fr= 1--       5.320                 -4.689                -51.438
 Raman2 Fr= 1--       2.072                  1.553                  0.801
 ROA2   Fr= 1--       6.880                 -5.727                -21.065
 CID2   Fr= 1--       3.320                 -3.689                -26.300
 Raman3 Fr= 1--       4.145                  3.105                  1.602
 ROA3   Fr= 1--      37.901                -17.950                -96.173
 CID3   Fr= 1--       9.144                 -5.780                -60.035
 RC180  Fr= 1--       0.164                  0.623                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.04     0.02   0.02   0.05    -0.02   0.02  -0.09
     2   6     0.08   0.01   0.04    -0.03  -0.05  -0.04    -0.05   0.08  -0.05
     3   6    -0.01  -0.05  -0.06     0.07  -0.01   0.02     0.01  -0.02  -0.08
     4   8    -0.05  -0.07  -0.01     0.32  -0.02  -0.00     0.07  -0.07  -0.00
     5   6    -0.02  -0.01  -0.03    -0.02  -0.03  -0.01     0.01  -0.02  -0.06
     6   6     0.01  -0.04  -0.03    -0.02  -0.02  -0.02    -0.01  -0.03  -0.01
     7   6     0.05  -0.02   0.00    -0.00  -0.03  -0.02     0.01   0.10   0.11
     8   6     0.14   0.14   0.03    -0.05  -0.08  -0.07    -0.09  -0.05   0.11
     9   1     0.19   0.08   0.01    -0.13  -0.14   0.00    -0.19   0.16  -0.06
    10   1     0.07   0.01   0.18    -0.03  -0.04  -0.17    -0.03   0.05  -0.14
    11   6    -0.05   0.09   0.02    -0.14   0.09  -0.02     0.10   0.09   0.08
    12   6    -0.12   0.03   0.05    -0.12   0.10   0.09    -0.03  -0.03  -0.03
    13   6    -0.04  -0.10  -0.03    -0.01   0.02   0.03    -0.03  -0.07  -0.06
    14   1     0.02  -0.03  -0.03    -0.04  -0.02  -0.05    -0.04  -0.10   0.03
    15   1     0.00  -0.01   0.02     0.03  -0.06   0.00     0.09  -0.01   0.27
    16   1     0.07  -0.03  -0.02     0.01   0.01  -0.01     0.03   0.28   0.17
    17   1     0.32   0.24   0.18    -0.09  -0.15  -0.15    -0.28   0.05   0.19
    18   1     0.04   0.35  -0.10     0.03  -0.21  -0.07    -0.08  -0.10   0.19
    19   1     0.19   0.03   0.10    -0.17  -0.01  -0.13     0.02  -0.19   0.21
    20   1    -0.13   0.27   0.10    -0.25   0.17   0.08     0.18   0.22   0.06
    21   1     0.02   0.01   0.14    -0.14   0.06   0.06     0.05   0.04   0.26
    22   1    -0.10   0.10  -0.16    -0.14   0.16  -0.20     0.14   0.14   0.08
    23   1    -0.24   0.18   0.05    -0.25   0.34   0.13    -0.01  -0.18  -0.10
    24   1    -0.17  -0.09   0.21    -0.15  -0.03   0.33     0.08   0.09  -0.06
    25   1    -0.07   0.02  -0.01    -0.09   0.14  -0.06    -0.16  -0.01   0.08
    26   1    -0.09  -0.15  -0.09    -0.03   0.02   0.02    -0.00  -0.13  -0.12
    27   1    -0.03  -0.15   0.06    -0.06   0.05   0.05    -0.02  -0.10  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    328.3508               373.0568               425.6878
 Red. masses --      2.3241                 2.1755                 2.9510
 Frc consts  --      0.1476                 0.1784                 0.3151
 IR Inten    --      0.1815                 0.3341                 0.7580
 RamAct Fr= 1--      0.1956                 0.2628                 1.6044
  Dep-P Fr= 1--      0.7372                 0.3483                 0.7046
  Dep-U Fr= 1--      0.8487                 0.5166                 0.8267
 Alpha2 Fr= 1--      0.0000                 0.0023                 0.0013
 Beta2  Fr= 1--      0.0277                 0.0226                 0.2211
 AlphaG Fr= 1--      0.0010                 0.0150                 0.0050
 Gamma2 Fr= 1--      0.2050                 0.1642                 0.3465
 Delta2 Fr= 1--     -0.0201                 0.0350                 0.1600
 Raman1 Fr= 1--       0.782                  1.051                  6.418
 ROA1   Fr= 1--      19.038                 16.880                 38.384
 CID1   Fr= 1--      24.335                 16.060                  5.981
 Raman2 Fr= 1--       0.332                  0.271                  2.653
 ROA2   Fr= 1--       5.081                  3.660                  7.035
 CID2   Fr= 1--      15.305                 13.482                  2.652
 Raman3 Fr= 1--       0.664                  0.543                  5.305
 ROA3   Fr= 1--      19.038                 16.880                 38.384
 CID3   Fr= 1--      28.673                 31.088                  7.235
 RC180  Fr= 1--       0.697                  0.033                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03   0.11    -0.04  -0.04   0.03    -0.05   0.04  -0.06
     2   6    -0.02  -0.09   0.05    -0.05  -0.01   0.05     0.10   0.03  -0.03
     3   6    -0.01  -0.00   0.02    -0.00  -0.05  -0.02    -0.04  -0.05   0.01
     4   8     0.02  -0.00   0.01     0.01  -0.05  -0.03     0.03  -0.03  -0.03
     5   6    -0.01   0.02  -0.07     0.01  -0.02  -0.03    -0.07  -0.11   0.11
     6   6    -0.04   0.04  -0.06    -0.04  -0.03  -0.01    -0.04   0.00  -0.09
     7   6     0.11   0.03   0.04    -0.12  -0.05  -0.04     0.14   0.04  -0.02
     8   6     0.01   0.05  -0.12    -0.01  -0.00  -0.01    -0.07   0.06  -0.02
     9   1    -0.13  -0.17   0.09     0.10   0.01   0.03     0.14   0.08  -0.05
    10   1     0.04  -0.19  -0.07    -0.08   0.04   0.19     0.14  -0.05   0.05
    11   6     0.13   0.01   0.02     0.12   0.05   0.09    -0.10  -0.12   0.15
    12   6    -0.05  -0.02  -0.05     0.11   0.16  -0.05     0.12   0.04   0.05
    13   6    -0.13   0.01   0.08    -0.03   0.00   0.01    -0.07   0.05  -0.07
    14   1    -0.10   0.06  -0.13    -0.08  -0.07  -0.02    -0.04   0.07  -0.15
    15   1     0.22  -0.07   0.15    -0.21   0.03  -0.15     0.19  -0.09   0.22
    16   1     0.20   0.18   0.02    -0.15  -0.18  -0.07     0.29   0.30  -0.05
    17   1     0.24  -0.05  -0.19     0.04  -0.02  -0.02    -0.06   0.08  -0.01
    18   1     0.02   0.09  -0.25    -0.02   0.02  -0.03    -0.09   0.09  -0.02
    19   1    -0.15   0.18  -0.22    -0.03   0.02  -0.03    -0.04   0.05  -0.01
    20   1     0.23   0.09  -0.02     0.22   0.25   0.07    -0.10  -0.14   0.15
    21   1     0.18  -0.04   0.10     0.17  -0.05   0.28    -0.09  -0.12   0.12
    22   1     0.11  -0.05   0.09     0.10   0.03   0.08    -0.12  -0.15   0.15
    23   1    -0.04  -0.18  -0.13     0.18   0.41   0.13     0.33   0.12   0.23
    24   1     0.05   0.11  -0.09     0.02   0.02   0.02     0.15   0.10  -0.01
    25   1    -0.19  -0.01   0.08     0.24   0.20  -0.35     0.08   0.14  -0.19
    26   1    -0.22   0.04   0.08    -0.01   0.05   0.06    -0.09   0.05  -0.08
    27   1    -0.14  -0.00   0.13    -0.03   0.02  -0.05    -0.08   0.05  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    450.9906               512.4600               525.1648
 Red. masses --      2.0847                 3.1654                 3.2293
 Frc consts  --      0.2498                 0.4898                 0.5247
 IR Inten    --      0.5135                 2.4882                 2.2744
 RamAct Fr= 1--      1.1477                 0.9988                 1.6255
  Dep-P Fr= 1--      0.4536                 0.6529                 0.2534
  Dep-U Fr= 1--      0.6241                 0.7900                 0.4043
 Alpha2 Fr= 1--      0.0069                 0.0017                 0.0191
 Beta2  Fr= 1--      0.1194                 0.1315                 0.1095
 AlphaG Fr= 1--     -0.0192                 0.0032                 0.0349
 Gamma2 Fr= 1--     -0.1406                 0.0247                 0.0166
 Delta2 Fr= 1--     -0.0608                -0.0616                 0.1493
 Raman1 Fr= 1--       4.591                  3.995                  6.502
 ROA1   Fr= 1--     -15.442                  0.394                  6.368
 CID1   Fr= 1--      -3.364                  0.099                  0.979
 Raman2 Fr= 1--       1.433                  1.578                  1.314
 ROA2   Fr= 1--      -2.887                  1.085                 -0.796
 CID2   Fr= 1--      -2.015                  0.687                 -0.606
 Raman3 Fr= 1--       2.865                  3.156                  2.629
 ROA3   Fr= 1--     -15.442                  0.394                  6.368
 CID3   Fr= 1--      -5.390                  0.125                  2.422
 RC180  Fr= 1--       0.248                  0.580                 -0.191
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.04     0.02   0.00   0.04     0.19   0.07   0.02
     2   6    -0.01   0.01   0.08    -0.05   0.07  -0.00     0.05   0.04  -0.06
     3   6    -0.02  -0.09  -0.00     0.08  -0.09  -0.00     0.06   0.07   0.02
     4   8    -0.04  -0.07  -0.05    -0.10  -0.07  -0.05    -0.12   0.09   0.05
     5   6     0.01  -0.05  -0.05     0.18  -0.05   0.02    -0.04  -0.08  -0.04
     6   6    -0.02  -0.02  -0.01    -0.01   0.06  -0.08    -0.13  -0.12  -0.08
     7   6     0.01   0.05   0.09    -0.03   0.11  -0.05    -0.03  -0.07   0.04
     8   6     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.17  -0.12   0.01
     9   1     0.03   0.10   0.05    -0.09   0.04   0.01    -0.12  -0.05  -0.01
    10   1     0.01  -0.04   0.17    -0.04   0.06  -0.06     0.01   0.19  -0.30
    11   6    -0.02   0.01  -0.04     0.03   0.04  -0.09    -0.02  -0.01   0.06
    12   6    -0.05  -0.01  -0.01     0.11  -0.04   0.20    -0.03   0.03  -0.05
    13   6     0.11   0.18  -0.03    -0.13   0.03   0.04    -0.05   0.04   0.00
    14   1    -0.07  -0.09  -0.00    -0.14  -0.01  -0.14    -0.16  -0.11  -0.12
    15   1     0.02  -0.01   0.20    -0.04   0.11  -0.03    -0.04  -0.17   0.27
    16   1     0.08   0.15   0.06    -0.02   0.10  -0.06     0.07   0.14   0.03
    17   1     0.07  -0.05  -0.02    -0.05  -0.08  -0.05     0.04  -0.14  -0.04
    18   1     0.01  -0.00  -0.02     0.09  -0.16  -0.02     0.29  -0.30   0.01
    19   1     0.00   0.01  -0.02    -0.09  -0.03  -0.04     0.06  -0.12  -0.02
    20   1    -0.03   0.06  -0.02    -0.20  -0.06   0.03     0.03   0.09   0.05
    21   1    -0.04   0.00   0.01    -0.04   0.11  -0.19    -0.09  -0.04   0.20
    22   1    -0.01   0.06  -0.09     0.05   0.16  -0.27     0.03   0.07   0.05
    23   1    -0.09   0.01  -0.03    -0.03   0.02   0.13     0.01   0.11   0.02
    24   1    -0.01   0.00   0.08     0.18  -0.05   0.41     0.03   0.07   0.03
    25   1    -0.10   0.01   0.00     0.03  -0.00   0.21    -0.10   0.11  -0.16
    26   1     0.35   0.43   0.25    -0.36   0.00  -0.06     0.01  -0.01  -0.02
    27   1     0.12   0.38  -0.44    -0.13  -0.08   0.22    -0.27   0.22   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    600.0471               665.9029               724.8237
 Red. masses --      3.7208                 3.3856                 4.5367
 Frc consts  --      0.7893                 0.8845                 1.4043
 IR Inten    --      0.6131                 1.7742                 0.6350
 RamAct Fr= 1--     14.3534                12.2271                 3.3484
  Dep-P Fr= 1--      0.0427                 0.0639                 0.3167
  Dep-U Fr= 1--      0.0818                 0.1201                 0.4810
 Alpha2 Fr= 1--      0.2885                 0.2336                 0.0326
 Beta2  Fr= 1--      0.1958                 0.2447                 0.2684
 AlphaG Fr= 1--     -0.0345                -0.0701                -0.0088
 Gamma2 Fr= 1--      0.2038                -0.5169                -0.2601
 Delta2 Fr= 1--     -0.0538                 0.0267                 0.6792
 Raman1 Fr= 1--      57.413                 48.909                 13.393
 ROA1   Fr= 1--      17.845                -48.772                 -3.230
 CID1   Fr= 1--       0.311                 -0.997                 -0.241
 Raman2 Fr= 1--       2.350                  2.936                  3.221
 ROA2   Fr= 1--       5.323                -12.620                -11.675
 CID2   Fr= 1--       2.265                 -4.298                 -3.624
 Raman3 Fr= 1--       4.699                  5.873                  6.443
 ROA3   Fr= 1--      17.845                -48.772                 -3.230
 CID3   Fr= 1--       3.797                 -8.305                 -0.501
 RC180  Fr= 1--      -0.836                 -0.760                 -0.038
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.13   0.01     0.06   0.13   0.10    -0.05  -0.06   0.07
     2   6    -0.08   0.05   0.04     0.04   0.11  -0.05    -0.09   0.04   0.05
     3   6    -0.00  -0.07   0.03    -0.01  -0.12  -0.01    -0.02   0.00   0.29
     4   8     0.06  -0.04  -0.04    -0.06  -0.12  -0.07    -0.01   0.18   0.04
     5   6    -0.10   0.09   0.05    -0.02  -0.07  -0.04     0.04  -0.15  -0.09
     6   6     0.01   0.17  -0.02     0.14   0.01   0.04     0.08  -0.08  -0.17
     7   6    -0.05   0.20  -0.04     0.05   0.07  -0.06    -0.01   0.16  -0.09
     8   6     0.22  -0.17   0.02    -0.06   0.06   0.01    -0.06   0.02   0.01
     9   1    -0.07   0.12   0.01    -0.19  -0.08   0.04     0.04   0.04   0.04
    10   1    -0.07   0.02   0.07     0.07   0.10  -0.35    -0.05  -0.07   0.21
    11   6    -0.06  -0.06   0.09    -0.05  -0.06   0.06     0.01  -0.03  -0.01
    12   6    -0.05   0.03  -0.06    -0.09   0.02  -0.12    -0.03  -0.02  -0.06
    13   6    -0.03  -0.02  -0.06     0.09   0.02   0.19     0.14  -0.14  -0.08
    14   1     0.11   0.16   0.10     0.09   0.02  -0.02     0.04  -0.23  -0.07
    15   1    -0.03   0.23  -0.13    -0.09   0.23  -0.26    -0.02   0.10   0.05
    16   1    -0.05   0.12  -0.08    -0.09  -0.20  -0.04     0.04   0.23  -0.11
    17   1     0.27  -0.17   0.03    -0.17   0.01  -0.06     0.02   0.01   0.02
    18   1     0.19  -0.12   0.02     0.10  -0.16  -0.01    -0.12   0.11   0.02
    19   1     0.26  -0.17   0.03    -0.24   0.08  -0.04    -0.02   0.05   0.01
    20   1     0.00  -0.14   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
    21   1     0.06  -0.06  -0.04    -0.07  -0.09   0.17    -0.07  -0.05   0.11
    22   1    -0.14  -0.24   0.22    -0.03  -0.04   0.09     0.08   0.08  -0.06
    23   1     0.07  -0.04  -0.02    -0.08   0.07  -0.10    -0.11   0.18  -0.01
    24   1    -0.10   0.04  -0.24    -0.07   0.03  -0.07     0.14   0.04   0.30
    25   1     0.02  -0.00  -0.06    -0.12   0.06  -0.19    -0.26   0.16  -0.23
    26   1    -0.25   0.05  -0.06    -0.02  -0.08   0.07     0.01  -0.16  -0.13
    27   1     0.06  -0.15   0.03     0.05  -0.03   0.36     0.18  -0.23   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    789.0077               831.2801               839.0778
 Red. masses --      2.6637                 1.8084                 2.4409
 Frc consts  --      0.9770                 0.7363                 1.0125
 IR Inten    --      0.3440                 3.1922                 3.1840
 RamAct Fr= 1--      0.9307                 5.3050                 2.3913
  Dep-P Fr= 1--      0.7026                 0.0439                 0.2395
  Dep-U Fr= 1--      0.8253                 0.0840                 0.3864
 Alpha2 Fr= 1--      0.0008                 0.1063                 0.0292
 Beta2  Fr= 1--      0.1280                 0.0743                 0.1540
 AlphaG Fr= 1--      0.0017                -0.0603                 0.0237
 Gamma2 Fr= 1--      1.0642                -0.4446                -1.1880
 Delta2 Fr= 1--     -0.0644                -0.0562                -0.4985
 Raman1 Fr= 1--       3.723                 21.220                  9.565
 ROA1   Fr= 1--     100.101                -44.482               -129.998
 CID1   Fr= 1--      26.888                 -2.096                -13.591
 Raman2 Fr= 1--       1.536                  0.892                  1.848
 ROA2   Fr= 1--      26.056                -10.222                -24.523
 CID2   Fr= 1--      16.960                -11.463                -13.270
 Raman3 Fr= 1--       3.073                  1.783                  3.696
 ROA3   Fr= 1--     100.101                -44.482               -129.998
 CID3   Fr= 1--      32.578                -24.943                -35.174
 RC180  Fr= 1--       0.651                 -0.832                 -0.227
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.02    -0.02  -0.02  -0.06     0.10   0.11   0.04
     2   6     0.03   0.04  -0.12    -0.05  -0.05  -0.08    -0.08  -0.13   0.14
     3   6    -0.03  -0.17   0.23     0.04   0.04  -0.03     0.10  -0.02  -0.06
     4   8     0.01  -0.02  -0.07    -0.01   0.01   0.02    -0.04  -0.04  -0.02
     5   6    -0.04   0.08   0.05     0.06  -0.08  -0.04     0.01   0.04   0.02
     6   6    -0.01  -0.02   0.01     0.02   0.09   0.08    -0.02   0.05  -0.03
     7   6    -0.03  -0.09   0.02    -0.02  -0.01  -0.01    -0.06  -0.01  -0.02
     8   6    -0.00   0.02  -0.00     0.02  -0.03  -0.02    -0.02   0.09   0.01
     9   1     0.36   0.16  -0.19     0.42   0.08  -0.17     0.14  -0.27   0.16
    10   1    -0.07   0.18   0.26    -0.14   0.05   0.42    -0.16   0.04   0.22
    11   6     0.06   0.08  -0.07    -0.01  -0.06   0.03    -0.02  -0.01   0.04
    12   6    -0.03   0.02  -0.01    -0.03  -0.01  -0.07    -0.02   0.02  -0.02
    13   6    -0.01   0.03   0.01    -0.01   0.07   0.10     0.07  -0.02  -0.13
    14   1     0.05   0.07  -0.02    -0.05   0.10  -0.00     0.10   0.01   0.11
    15   1     0.13  -0.25   0.21     0.30  -0.16  -0.01     0.22  -0.20   0.12
    16   1    -0.06   0.22   0.16    -0.11   0.25   0.16     0.09   0.28  -0.03
    17   1    -0.10   0.01  -0.02    -0.01   0.03   0.04    -0.30   0.05  -0.08
    18   1     0.06  -0.09   0.02    -0.04   0.04   0.04     0.22  -0.27  -0.00
    19   1    -0.05  -0.00  -0.00     0.15  -0.09   0.04    -0.30   0.06  -0.03
    20   1     0.16  -0.02  -0.16    -0.09   0.03   0.10    -0.07  -0.07   0.06
    21   1     0.24   0.07  -0.22    -0.17  -0.06   0.18    -0.01   0.01  -0.03
    22   1    -0.05  -0.16   0.11     0.08   0.14  -0.10    -0.05  -0.05   0.04
    23   1    -0.05  -0.02  -0.04    -0.09   0.07  -0.07    -0.02  -0.02  -0.04
    24   1    -0.09  -0.02  -0.08     0.06   0.01   0.11    -0.05   0.01  -0.09
    25   1     0.03  -0.04   0.07    -0.14   0.06  -0.11     0.01  -0.02   0.03
    26   1    -0.04  -0.10  -0.11    -0.12   0.01   0.01     0.00  -0.16  -0.27
    27   1    -0.13   0.04   0.20     0.08  -0.07   0.19     0.05  -0.10   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    847.1710               895.6939               899.6128
 Red. masses --      2.5453                 2.4307                 2.3177
 Frc consts  --      1.0763                 1.1490                 1.1051
 IR Inten    --      0.5954                 0.2383                 1.0447
 RamAct Fr= 1--      0.9841                 4.8210                 2.6884
  Dep-P Fr= 1--      0.6978                 0.1140                 0.6211
  Dep-U Fr= 1--      0.8220                 0.2047                 0.7663
 Alpha2 Fr= 1--      0.0009                 0.0816                 0.0063
 Beta2  Fr= 1--      0.1348                 0.1645                 0.3433
 AlphaG Fr= 1--     -0.0091                -0.0325                 0.0264
 Gamma2 Fr= 1--      0.2380                -0.0866                -0.0126
 Delta2 Fr= 1--      0.3542                -0.1190                -0.2288
 Raman1 Fr= 1--       3.936                 19.284                 10.754
 ROA1   Fr= 1--      34.177                -12.123                 -8.527
 CID1   Fr= 1--       8.683                 -0.629                 -0.793
 Raman2 Fr= 1--       1.618                  1.973                  4.120
 ROA2   Fr= 1--       2.878                 -1.127                  1.529
 CID2   Fr= 1--       1.779                 -0.571                  0.371
 Raman3 Fr= 1--       3.236                  3.947                  8.240
 ROA3   Fr= 1--      34.177                -12.123                 -8.527
 CID3   Fr= 1--      10.563                 -3.071                 -1.035
 RC180  Fr= 1--       0.644                 -0.591                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.11    -0.01   0.02   0.09     0.02   0.07  -0.10
     2   6     0.05  -0.08   0.04     0.12  -0.06  -0.12    -0.04  -0.04   0.09
     3   6     0.07  -0.07   0.14    -0.04   0.01  -0.03    -0.08  -0.01   0.01
     4   8    -0.02   0.03  -0.02     0.00  -0.01   0.00     0.01  -0.01  -0.01
     5   6     0.03  -0.06  -0.01    -0.06  -0.03  -0.01    -0.08  -0.03   0.01
     6   6    -0.06   0.10   0.14    -0.10  -0.00   0.15    -0.13   0.05   0.00
     7   6     0.06   0.01   0.09    -0.05   0.16  -0.07     0.03   0.03  -0.07
     8   6    -0.00   0.02  -0.03     0.01  -0.00   0.06     0.05  -0.01  -0.06
     9   1    -0.19   0.05   0.03     0.30  -0.24  -0.08    -0.07  -0.05   0.10
    10   1     0.14  -0.25  -0.10     0.11  -0.04  -0.01    -0.02  -0.06   0.01
    11   6     0.01  -0.01  -0.01     0.02   0.01  -0.07     0.03   0.04  -0.08
    12   6    -0.02  -0.01  -0.07     0.02  -0.03   0.05     0.01  -0.04   0.06
    13   6    -0.10   0.05  -0.13     0.00  -0.05  -0.04     0.10  -0.03   0.14
    14   1    -0.03   0.02   0.24    -0.04  -0.20   0.40    -0.29   0.08  -0.18
    15   1    -0.11   0.27  -0.31     0.12   0.09  -0.10     0.07   0.02  -0.08
    16   1     0.03  -0.47  -0.06    -0.07   0.26  -0.02     0.23   0.05  -0.22
    17   1    -0.16   0.07   0.00     0.21  -0.17  -0.09    -0.26   0.18   0.10
    18   1     0.03  -0.06   0.03     0.09  -0.04  -0.11     0.02  -0.06   0.15
    19   1     0.03  -0.07   0.02    -0.23   0.19  -0.09     0.30  -0.27   0.12
    20   1     0.02   0.04  -0.01     0.13   0.16  -0.10     0.16   0.12  -0.15
    21   1    -0.05  -0.02   0.08    -0.06  -0.03   0.12     0.04   0.00   0.01
    22   1     0.06   0.06  -0.02     0.09   0.10  -0.03     0.04   0.01   0.02
    23   1    -0.13   0.12  -0.07     0.12  -0.02   0.12     0.15   0.00   0.17
    24   1     0.08   0.01   0.18     0.04   0.02   0.02     0.07   0.03   0.03
    25   1    -0.18   0.10  -0.14    -0.01   0.01  -0.03    -0.03   0.04  -0.08
    26   1    -0.03  -0.06  -0.21     0.21  -0.12  -0.03     0.30  -0.21   0.04
    27   1    -0.10   0.01  -0.05    -0.04   0.01  -0.08     0.09  -0.03   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --    939.9711               954.0769               965.2187
 Red. masses --      2.4617                 1.9587                 1.6054
 Frc consts  --      1.2815                 1.0505                 0.8812
 IR Inten    --     11.8573                 7.0058                 0.2782
 RamAct Fr= 1--      9.0307                 2.6944                 4.0773
  Dep-P Fr= 1--      0.3712                 0.7465                 0.6118
  Dep-U Fr= 1--      0.5415                 0.8549                 0.7592
 Alpha2 Fr= 1--      0.0739                 0.0002                 0.0104
 Beta2  Fr= 1--      0.8149                 0.3839                 0.5159
 AlphaG Fr= 1--      0.0224                -0.0036                 0.0227
 Gamma2 Fr= 1--     -0.7548                 0.0746                -0.2432
 Delta2 Fr= 1--     -0.1420                -0.7236                -0.2715
 Raman1 Fr= 1--      36.123                 10.778                 16.309
 ROA1   Fr= 1--     -77.006                -15.990                -32.035
 CID1   Fr= 1--      -2.132                 -1.484                 -1.964
 Raman2 Fr= 1--       9.779                  4.607                  6.191
 ROA2   Fr= 1--     -16.979                  7.580                 -3.665
 CID2   Fr= 1--      -1.736                  1.645                 -0.592
 Raman3 Fr= 1--      19.559                  9.213                 12.381
 ROA3   Fr= 1--     -77.006                -15.990                -32.035
 CID3   Fr= 1--      -3.937                 -1.736                 -2.587
 RC180  Fr= 1--       0.083                  0.710                  0.518
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.02    -0.02  -0.03   0.05    -0.00   0.01   0.02
     2   6     0.02   0.01  -0.06    -0.01   0.11  -0.03    -0.08   0.04  -0.00
     3   6     0.17  -0.03   0.04     0.06  -0.01  -0.00    -0.01   0.00  -0.00
     4   8    -0.02   0.00  -0.01    -0.01  -0.01  -0.00     0.00   0.01   0.00
     5   6     0.10   0.10   0.01    -0.01  -0.03   0.02    -0.03   0.02  -0.09
     6   6    -0.15  -0.05   0.01    -0.10   0.14   0.02     0.02  -0.00   0.02
     7   6     0.02   0.07  -0.06     0.03  -0.13   0.01     0.08  -0.04  -0.02
     8   6    -0.04   0.02  -0.02    -0.02  -0.01   0.06     0.03   0.01   0.02
     9   1     0.06   0.03  -0.07    -0.12   0.16  -0.03     0.03   0.13  -0.04
    10   1     0.07  -0.12   0.04    -0.05   0.21  -0.11    -0.11   0.07   0.13
    11   6    -0.04  -0.02   0.10     0.02   0.00  -0.02    -0.10  -0.03  -0.03
    12   6     0.00   0.07  -0.06    -0.02  -0.03  -0.01     0.11   0.00   0.04
    13   6    -0.01  -0.10   0.09     0.05  -0.06  -0.03    -0.03  -0.02  -0.02
    14   1    -0.32  -0.10  -0.10    -0.09   0.39  -0.19     0.07   0.06   0.01
    15   1     0.00   0.07  -0.05     0.03  -0.14   0.04     0.14  -0.01  -0.13
    16   1     0.08   0.04  -0.12     0.14  -0.05  -0.05     0.03  -0.08   0.01
    17   1    -0.09   0.07   0.02     0.22  -0.17  -0.08    -0.04  -0.03  -0.04
    18   1    -0.08   0.05   0.03     0.03   0.01  -0.12     0.13  -0.12  -0.01
    19   1     0.02  -0.03   0.02    -0.23   0.20  -0.08    -0.10   0.01  -0.01
    20   1    -0.13  -0.16   0.12    -0.03   0.02   0.02     0.34   0.23  -0.24
    21   1     0.05   0.03  -0.11    -0.05   0.01   0.01    -0.06  -0.19   0.33
    22   1    -0.12  -0.12   0.09     0.06   0.08  -0.08    -0.03  -0.09   0.32
    23   1    -0.26  -0.02  -0.28     0.08   0.06   0.10    -0.23   0.00  -0.18
    24   1    -0.12  -0.07  -0.04     0.08   0.06   0.04     0.08  -0.12   0.28
    25   1     0.10  -0.09   0.24    -0.13   0.09  -0.19     0.06  -0.07   0.30
    26   1     0.39  -0.04   0.27     0.16  -0.06   0.01     0.10  -0.00   0.04
    27   1     0.02   0.05  -0.28     0.35  -0.27  -0.20    -0.07   0.06  -0.10
                     28                     29                     30
                      A                      A                      A
 Frequencies --    969.3696              1008.7267              1018.8189
 Red. masses --      1.8796                 1.5249                 1.4529
 Frc consts  --      1.0406                 0.9142                 0.8885
 IR Inten    --      4.7787                 9.9982                 3.7344
 RamAct Fr= 1--      3.1036                 2.1062                 0.9797
  Dep-P Fr= 1--      0.1731                 0.7363                 0.7490
  Dep-U Fr= 1--      0.2951                 0.8481                 0.8565
 Alpha2 Fr= 1--      0.0452                 0.0005                 0.0000
 Beta2  Fr= 1--      0.1526                 0.2977                 0.1398
 AlphaG Fr= 1--     -0.0137                 0.0155                -0.0008
 Gamma2 Fr= 1--      1.3360                -0.6851                -1.7112
 Delta2 Fr= 1--      0.4088                -0.3399                -0.7499
 Raman1 Fr= 1--      12.414                  8.425                  3.919
 ROA1   Fr= 1--     141.341                -76.642               -188.274
 CID1   Fr= 1--      11.385                 -9.097                -48.046
 Raman2 Fr= 1--       1.832                  3.573                  1.678
 ROA2   Fr= 1--      28.794                -13.722                -35.071
 CID2   Fr= 1--      15.719                 -3.841                -20.898
 Raman3 Fr= 1--       3.664                  7.145                  3.356
 ROA3   Fr= 1--     141.341                -76.642               -188.274
 CID3   Fr= 1--      38.580                -10.726                -56.095
 RC180  Fr= 1--      -0.410                  0.696                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.03  -0.02  -0.01    -0.01   0.02   0.00
     2   6     0.12  -0.06  -0.01     0.06  -0.01   0.01    -0.02  -0.06  -0.06
     3   6    -0.05  -0.01   0.01     0.09  -0.00  -0.01    -0.05   0.03  -0.04
     4   8     0.01  -0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
     5   6     0.03   0.03  -0.05    -0.04  -0.02   0.01     0.00   0.01  -0.03
     6   6    -0.05   0.07  -0.05     0.04   0.04  -0.02     0.01   0.01  -0.06
     7   6    -0.12   0.00   0.08    -0.07   0.01   0.01     0.02   0.03   0.09
     8   6    -0.03  -0.03   0.00    -0.03   0.02  -0.04     0.04   0.02   0.04
     9   1    -0.05  -0.12   0.03     0.03  -0.25   0.08     0.14   0.10  -0.13
    10   1     0.13  -0.03  -0.19     0.03   0.09  -0.14    -0.01  -0.13   0.20
    11   6    -0.05  -0.02   0.02    -0.04   0.06  -0.02    -0.01   0.05   0.05
    12   6     0.07   0.02  -0.01     0.01  -0.07  -0.00     0.01  -0.06   0.00
    13   6     0.10   0.05   0.00    -0.05  -0.06   0.04     0.01  -0.02   0.02
    14   1    -0.22   0.05  -0.20     0.21   0.13   0.07    -0.20  -0.00  -0.25
    15   1    -0.22  -0.01   0.22    -0.01  -0.06   0.09    -0.06   0.18  -0.15
    16   1    -0.07   0.04   0.05    -0.14   0.15   0.11    -0.22  -0.22   0.19
    17   1     0.18  -0.04   0.02    -0.15   0.13   0.05    -0.02  -0.08  -0.08
    18   1    -0.14   0.16  -0.04    -0.08   0.05   0.06     0.21  -0.18  -0.04
    19   1     0.06   0.07  -0.02     0.10  -0.10   0.04    -0.19   0.07  -0.03
    20   1     0.11   0.05  -0.06     0.19   0.02  -0.18    -0.06  -0.19   0.03
    21   1    -0.01  -0.08   0.12     0.16  -0.01  -0.04     0.19   0.10  -0.27
    22   1    -0.05  -0.08   0.16    -0.13  -0.20   0.25    -0.17  -0.19   0.08
    23   1    -0.25   0.02  -0.21     0.02   0.12   0.09     0.05   0.09   0.10
    24   1     0.04  -0.10   0.21     0.17   0.04   0.22     0.15   0.04   0.17
    25   1     0.04  -0.06   0.24    -0.21   0.11  -0.19    -0.14   0.09  -0.18
    26   1    -0.12  -0.14  -0.23    -0.09   0.26   0.29     0.21  -0.13  -0.02
    27   1     0.22  -0.21   0.30     0.08  -0.02  -0.26    -0.03   0.04  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1033.2111              1042.2857              1092.8148
 Red. masses --      1.8459                 1.5506                 1.3313
 Frc consts  --      1.1610                 0.9925                 0.9368
 IR Inten    --     24.7410                10.7653                 1.1453
 RamAct Fr= 1--      1.5239                 0.8114                 2.5660
  Dep-P Fr= 1--      0.6840                 0.7006                 0.6866
  Dep-U Fr= 1--      0.8123                 0.8240                 0.8142
 Alpha2 Fr= 1--      0.0018                 0.0007                 0.0029
 Beta2  Fr= 1--      0.2063                 0.1114                 0.3482
 AlphaG Fr= 1--     -0.0144                 0.0024                 0.0062
 Gamma2 Fr= 1--     -0.0182                 0.0053                 3.7333
 Delta2 Fr= 1--      0.0036                 0.2137                 0.8560
 Raman1 Fr= 1--       6.096                  3.246                 10.264
 ROA1   Fr= 1--      -1.635                  7.343                385.783
 CID1   Fr= 1--      -0.268                  2.262                 37.586
 Raman2 Fr= 1--       2.476                  1.337                  4.178
 ROA2   Fr= 1--      -0.466                 -1.583                 82.750
 CID2   Fr= 1--      -0.188                 -1.184                 19.805
 Raman3 Fr= 1--       4.952                  2.674                  8.357
 ROA3   Fr= 1--      -1.635                  7.343                385.783
 CID3   Fr= 1--      -0.330                  2.746                 46.165
 RC180  Fr= 1--       0.625                  0.648                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.00     0.02  -0.01   0.01    -0.05  -0.04  -0.02
     2   6    -0.01  -0.05  -0.05    -0.05   0.01   0.01     0.01   0.01  -0.02
     3   6     0.17  -0.01   0.01     0.10   0.01  -0.05     0.00   0.03  -0.03
     4   8    -0.03   0.02   0.01    -0.02  -0.01   0.00     0.00   0.01   0.01
     5   6    -0.07  -0.02  -0.03    -0.02  -0.01   0.01     0.00  -0.04   0.05
     6   6     0.01  -0.00  -0.07    -0.03  -0.05   0.03    -0.01  -0.05   0.04
     7   6    -0.00   0.04   0.07     0.04  -0.00  -0.03    -0.01  -0.01  -0.03
     8   6    -0.03   0.03  -0.00    -0.07  -0.06   0.01     0.06   0.06   0.02
     9   1     0.05   0.17  -0.13    -0.05   0.16  -0.03    -0.09   0.17  -0.06
    10   1     0.07  -0.26   0.17    -0.05  -0.00   0.07     0.12  -0.25   0.03
    11   6    -0.03  -0.02  -0.06    -0.03   0.07   0.01    -0.01   0.04  -0.01
    12   6    -0.05   0.03   0.10    -0.00  -0.04  -0.01    -0.00   0.01  -0.03
    13   6     0.02   0.02   0.03     0.05   0.08  -0.01     0.01   0.05   0.02
    14   1    -0.02   0.08  -0.17     0.02  -0.17   0.19    -0.09  -0.20   0.10
    15   1    -0.18   0.15  -0.00     0.08   0.00  -0.08    -0.12  -0.04   0.15
    16   1    -0.11  -0.16   0.09     0.17  -0.04  -0.15     0.22   0.04  -0.21
    17   1    -0.07   0.03  -0.01     0.30  -0.08   0.04    -0.19  -0.01  -0.09
    18   1    -0.02   0.01   0.00    -0.27   0.29  -0.07     0.27  -0.26   0.01
    19   1    -0.06   0.02  -0.01     0.09   0.12  -0.04    -0.19  -0.03   0.00
    20   1     0.17   0.20  -0.14     0.12  -0.07  -0.12     0.08  -0.02  -0.08
    21   1    -0.12  -0.12   0.25     0.21   0.04  -0.15     0.11   0.02  -0.05
    22   1     0.07   0.06   0.07    -0.17  -0.23   0.23    -0.06  -0.09   0.10
    23   1     0.30  -0.17   0.21     0.02   0.06   0.06    -0.07   0.02  -0.06
    24   1    -0.19   0.06  -0.40     0.08   0.03   0.09    -0.01  -0.02   0.03
    25   1     0.20  -0.06  -0.00    -0.11   0.06  -0.12    -0.02  -0.01   0.02
    26   1    -0.06  -0.01  -0.03    -0.04  -0.15  -0.23    -0.35   0.18   0.02
    27   1     0.10  -0.08   0.09    -0.14   0.09   0.33     0.36  -0.30   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7422              1135.1649              1178.2441
 Red. masses --      1.2131                 2.0022                 2.0162
 Frc consts  --      0.9074                 1.5201                 1.6491
 IR Inten    --      4.5107                 2.0199                 1.7198
 RamAct Fr= 1--      4.9148                 4.8799                 3.1843
  Dep-P Fr= 1--      0.6537                 0.6630                 0.7484
  Dep-U Fr= 1--      0.7906                 0.7973                 0.8561
 Alpha2 Fr= 1--      0.0085                 0.0076                 0.0001
 Beta2  Fr= 1--      0.6476                 0.6485                 0.4544
 AlphaG Fr= 1--     -0.0158                -0.0545                -0.0014
 Gamma2 Fr= 1--     -1.8653                 0.7337                -1.1886
 Delta2 Fr= 1--     -0.3819                 0.8340                -1.0497
 Raman1 Fr= 1--      19.659                 19.520                 12.737
 ROA1   Fr= 1--    -191.288                 97.124               -147.690
 CID1   Fr= 1--      -9.730                  4.976                -11.595
 Raman2 Fr= 1--       7.771                  7.782                  5.452
 ROA2   Fr= 1--     -41.712                 10.936                -20.128
 CID2   Fr= 1--      -5.367                  1.405                 -3.692
 Raman3 Fr= 1--      15.543                 15.564                 10.905
 ROA3   Fr= 1--    -191.288                 97.124               -147.690
 CID3   Fr= 1--     -12.307                  6.240                -13.544
 RC180  Fr= 1--       0.581                  0.595                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02    -0.04   0.07  -0.11    -0.10   0.03   0.19
     2   6    -0.00  -0.01  -0.03    -0.01  -0.02   0.08    -0.02   0.08  -0.04
     3   6     0.01   0.01  -0.02     0.04   0.00  -0.01     0.04   0.02  -0.04
     4   8     0.00  -0.01  -0.00    -0.01   0.01   0.00    -0.01  -0.01   0.00
     5   6    -0.03   0.06   0.03     0.01  -0.08   0.13    -0.02  -0.06   0.03
     6   6    -0.02   0.01  -0.02     0.09  -0.04   0.02    -0.04  -0.03   0.03
     7   6    -0.03   0.00  -0.01    -0.02   0.04  -0.06     0.06  -0.01  -0.01
     8   6     0.00   0.02  -0.00     0.01  -0.05   0.07     0.04  -0.02  -0.10
     9   1    -0.08   0.25  -0.10    -0.08  -0.06   0.09     0.13  -0.30   0.07
    10   1     0.13  -0.32   0.10     0.09  -0.23   0.01     0.14  -0.27   0.08
    11   6     0.02  -0.03  -0.00     0.00   0.03  -0.05     0.01   0.03  -0.00
    12   6     0.03  -0.04  -0.03    -0.01   0.04  -0.05     0.02   0.02  -0.02
    13   6     0.03  -0.02   0.03    -0.08   0.02   0.03     0.00   0.04  -0.09
    14   1     0.40   0.28   0.14     0.06   0.34  -0.37     0.04   0.22  -0.13
    15   1    -0.28   0.00   0.25    -0.08  -0.03   0.17    -0.11   0.03   0.06
    16   1     0.12   0.04  -0.13    -0.16   0.15   0.10    -0.26  -0.03   0.24
    17   1    -0.08   0.03  -0.01     0.28  -0.21  -0.07    -0.15   0.20   0.12
    18   1     0.04  -0.05   0.03     0.05   0.02  -0.16    -0.05  -0.04   0.22
    19   1    -0.05  -0.02   0.01    -0.11   0.17  -0.07     0.30  -0.29   0.10
    20   1    -0.06   0.04   0.07     0.12   0.08  -0.11    -0.00  -0.04  -0.01
    21   1    -0.11  -0.01   0.05     0.05  -0.02   0.02     0.06   0.04  -0.08
    22   1     0.09   0.11  -0.10     0.02  -0.00   0.06    -0.03  -0.03  -0.01
    23   1    -0.08   0.10  -0.03    -0.13  -0.01  -0.15    -0.08  -0.01  -0.09
    24   1     0.13  -0.00   0.19    -0.09  -0.05  -0.03    -0.03  -0.05   0.03
    25   1    -0.13   0.05  -0.04     0.00  -0.02   0.07     0.01  -0.01   0.07
    26   1     0.10  -0.08  -0.00     0.34  -0.22  -0.05     0.10  -0.19  -0.25
    27   1    -0.29   0.23   0.15    -0.01   0.02  -0.11     0.10  -0.11   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1193.6032              1221.8600              1239.7966
 Red. masses --      2.4492                 2.0342                 1.9144
 Frc consts  --      2.0559                 1.7894                 1.7337
 IR Inten    --      2.0483                 0.2558                 2.0314
 RamAct Fr= 1--      3.1611                 1.4646                 3.2735
  Dep-P Fr= 1--      0.7474                 0.6240                 0.6951
  Dep-U Fr= 1--      0.8554                 0.7685                 0.8201
 Alpha2 Fr= 1--      0.0001                 0.0034                 0.0031
 Beta2  Fr= 1--      0.4507                 0.1876                 0.4474
 AlphaG Fr= 1--     -0.0014                 0.0078                -0.0041
 Gamma2 Fr= 1--     -1.7923                -0.1206                 2.5842
 Delta2 Fr= 1--     -1.1474                -0.3068                 1.2500
 Raman1 Fr= 1--      12.644                  5.858                 13.094
 ROA1   Fr= 1--    -208.778                -21.396                288.083
 CID1   Fr= 1--     -16.512                 -3.652                 22.001
 Raman2 Fr= 1--       5.408                  2.251                  5.369
 ROA2   Fr= 1--     -33.836                 -0.440                 52.020
 CID2   Fr= 1--      -6.256                 -0.195                  9.688
 Raman3 Fr= 1--      10.816                  4.502                 10.739
 ROA3   Fr= 1--    -208.778                -21.396                288.083
 CID3   Fr= 1--     -19.302                 -4.752                 26.827
 RC180  Fr= 1--       0.711                  0.537                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.03    -0.06   0.19  -0.03    -0.03   0.08  -0.01
     2   6    -0.05  -0.06  -0.06    -0.03  -0.02  -0.03    -0.06   0.00  -0.03
     3   6    -0.02   0.02  -0.05     0.04  -0.02   0.03     0.00  -0.01   0.01
     4   8     0.00  -0.01   0.00    -0.01  -0.00  -0.01     0.00  -0.02  -0.01
     5   6    -0.08  -0.11   0.20    -0.07  -0.04  -0.14     0.07   0.18   0.08
     6   6    -0.06   0.01  -0.09     0.00   0.01  -0.03     0.01  -0.08   0.01
     7   6     0.05   0.06   0.10    -0.01  -0.01   0.04     0.06   0.02   0.02
     8   6    -0.03  -0.01  -0.00     0.02  -0.07   0.02     0.00  -0.04   0.00
     9   1     0.22  -0.05  -0.10     0.12  -0.11  -0.02     0.25  -0.38   0.05
    10   1    -0.23   0.32   0.10     0.01  -0.14   0.12    -0.09   0.06   0.09
    11   6     0.05   0.02  -0.06     0.03   0.01   0.05    -0.03  -0.06  -0.04
    12   6     0.04   0.06  -0.08     0.03   0.02   0.04    -0.03  -0.08  -0.02
    13   6     0.04  -0.05   0.00    -0.03  -0.01   0.05    -0.01   0.01  -0.01
    14   1     0.10   0.02   0.06     0.40   0.04   0.32    -0.16  -0.14  -0.10
    15   1    -0.06   0.22  -0.14    -0.17   0.02   0.13    -0.32   0.11   0.20
    16   1     0.12  -0.26  -0.07     0.26  -0.08  -0.21     0.12  -0.15  -0.09
    17   1     0.03   0.02   0.04     0.25  -0.09   0.03     0.12  -0.04   0.02
    18   1    -0.09   0.09  -0.01    -0.02   0.03  -0.07    -0.02   0.03  -0.03
    19   1     0.02   0.05  -0.02     0.15   0.04  -0.01     0.09   0.01  -0.00
    20   1     0.04   0.06  -0.04    -0.14  -0.17   0.11     0.04   0.20  -0.02
    21   1     0.01   0.03  -0.02     0.02   0.09  -0.14    -0.13  -0.12   0.21
    22   1     0.08   0.08  -0.09    -0.07  -0.05  -0.11     0.12   0.11   0.08
    23   1    -0.28   0.01  -0.30     0.01  -0.07  -0.02     0.06   0.16   0.15
    24   1    -0.07  -0.14   0.12    -0.03  -0.04   0.01     0.16   0.12   0.05
    25   1    -0.01  -0.04   0.23     0.10  -0.04   0.12    -0.18   0.08  -0.23
    26   1    -0.25   0.25   0.18     0.02   0.04   0.10    -0.13   0.07  -0.00
    27   1     0.01  -0.01  -0.02     0.30  -0.20  -0.18     0.17  -0.13  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.7210              1267.9215              1277.1305
 Red. masses --      2.2572                 1.5165                 1.4907
 Frc consts  --      2.0737                 1.4365                 1.4326
 IR Inten    --      3.3796                 0.8630                 1.0654
 RamAct Fr= 1--      3.2785                 4.7796                 3.6520
  Dep-P Fr= 1--      0.7443                 0.7479                 0.7162
  Dep-U Fr= 1--      0.8534                 0.8558                 0.8346
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0021
 Beta2  Fr= 1--      0.4663                 0.6817                 0.5080
 AlphaG Fr= 1--     -0.0010                -0.0008                -0.0090
 Gamma2 Fr= 1--     -0.0208                 1.8156                -0.7953
 Delta2 Fr= 1--     -0.1000                 0.5983                 0.0914
 Raman1 Fr= 1--      13.114                 19.119                 14.608
 ROA1   Fr= 1--      -5.200                193.443                -73.427
 CID1   Fr= 1--      -0.397                 10.118                 -5.026
 Raman2 Fr= 1--       5.596                  8.181                  6.096
 ROA2   Fr= 1--       0.299                 38.787                -19.818
 CID2   Fr= 1--       0.054                  4.741                 -3.251
 Raman3 Fr= 1--      11.192                 16.361                 12.192
 ROA3   Fr= 1--      -5.200                193.443                -73.427
 CID3   Fr= 1--      -0.465                 11.823                 -6.023
 RC180  Fr= 1--       0.707                  0.712                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.09     0.04  -0.10   0.02    -0.03   0.06   0.06
     2   6     0.00  -0.04  -0.05     0.00  -0.07  -0.00     0.05  -0.05   0.02
     3   6    -0.07   0.02  -0.02    -0.00   0.00   0.00     0.02  -0.00  -0.01
     4   8     0.01  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.01
     5   6     0.21  -0.10   0.03    -0.04  -0.00  -0.04    -0.02   0.05   0.08
     6   6     0.04   0.11  -0.01     0.03  -0.05   0.04     0.02   0.01  -0.10
     7   6    -0.04  -0.02   0.03     0.03   0.05  -0.02    -0.02  -0.02  -0.01
     8   6     0.01  -0.01  -0.04    -0.01   0.03  -0.02     0.01  -0.02  -0.03
     9   1     0.02   0.15  -0.11     0.05   0.06  -0.05    -0.24   0.47  -0.11
    10   1    -0.06   0.07   0.06    -0.27   0.55  -0.11     0.01   0.03  -0.03
    11   6    -0.08   0.03  -0.02     0.01   0.01   0.02     0.01  -0.03  -0.03
    12   6    -0.08   0.03   0.01     0.01  -0.00   0.01     0.01  -0.02  -0.02
    13   6    -0.03  -0.06  -0.02    -0.08   0.08   0.01    -0.06   0.03   0.03
    14   1    -0.00  -0.06   0.10     0.10   0.15  -0.08     0.01  -0.39   0.26
    15   1    -0.23  -0.02   0.22    -0.31   0.10   0.23     0.23  -0.08  -0.15
    16   1     0.37  -0.03  -0.31     0.15  -0.02  -0.15    -0.15   0.03   0.12
    17   1    -0.00   0.07   0.06    -0.14   0.06  -0.01     0.03   0.05   0.05
    18   1    -0.03  -0.01   0.08    -0.02   0.01   0.04    -0.02  -0.01   0.06
    19   1     0.12  -0.08   0.03    -0.04  -0.05   0.01     0.11  -0.05   0.01
    20   1     0.20   0.02  -0.19    -0.03  -0.04   0.03     0.00   0.10   0.01
    21   1     0.16  -0.10   0.07     0.00   0.04  -0.07    -0.08  -0.03   0.06
    22   1    -0.08  -0.10   0.23    -0.02  -0.01  -0.05     0.07   0.07  -0.01
    23   1     0.09  -0.10   0.04     0.01  -0.00   0.01    -0.05   0.07  -0.01
    24   1    -0.12   0.07  -0.25     0.01  -0.01   0.04     0.04   0.00   0.05
    25   1     0.12  -0.03  -0.11     0.01  -0.01   0.03    -0.08   0.03  -0.03
    26   1     0.23  -0.09   0.03     0.30  -0.27  -0.16     0.26  -0.20  -0.07
    27   1    -0.21   0.15  -0.10     0.21  -0.18  -0.04     0.27  -0.20  -0.15
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1294.5379              1322.4258              1346.6182
 Red. masses --      1.8556                 1.6719                 1.5730
 Frc consts  --      1.8322                 1.7227                 1.6806
 IR Inten    --      3.2010                 5.2231                 2.3917
 RamAct Fr= 1--      4.8549                 1.1586                 2.1977
  Dep-P Fr= 1--      0.7016                 0.7289                 0.7498
  Dep-U Fr= 1--      0.8246                 0.8432                 0.8570
 Alpha2 Fr= 1--      0.0041                 0.0004                 0.0000
 Beta2  Fr= 1--      0.6673                 0.1628                 0.3139
 AlphaG Fr= 1--     -0.0146                -0.0025                -0.0002
 Gamma2 Fr= 1--      4.0211                -1.1744                 0.8520
 Delta2 Fr= 1--      2.0694                -0.7892                 0.4836
 Raman1 Fr= 1--      19.420                  4.634                  8.791
 ROA1   Fr= 1--     452.248               -137.992                 97.270
 CID1   Fr= 1--      23.288                -29.776                 11.065
 Raman2 Fr= 1--       8.007                  1.954                  3.767
 ROA2   Fr= 1--      79.952                -21.871                 16.580
 CID2   Fr= 1--       9.985                -11.194                  4.401
 Raman3 Fr= 1--      16.014                  3.908                  7.534
 ROA3   Fr= 1--     452.248               -137.992                 97.270
 CID3   Fr= 1--      28.240                -35.313                 12.911
 RC180  Fr= 1--       0.649                  0.686                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.09   0.08    -0.03  -0.02   0.03    -0.04   0.03   0.02
     2   6    -0.02  -0.06  -0.00     0.01   0.05  -0.04     0.04  -0.04   0.01
     3   6    -0.04  -0.00  -0.00     0.04  -0.00  -0.00    -0.02  -0.00   0.00
     4   8     0.00  -0.01  -0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.04   0.01  -0.03    -0.09   0.02   0.02     0.09   0.03  -0.01
     6   6     0.05  -0.02   0.12     0.12  -0.00   0.02    -0.08  -0.14   0.01
     7   6    -0.01   0.01  -0.06    -0.12   0.00   0.10    -0.05   0.05   0.05
     8   6    -0.04  -0.04  -0.03     0.01   0.01  -0.02     0.01  -0.00  -0.01
     9   1    -0.12   0.49  -0.16     0.06  -0.17   0.02    -0.08   0.20  -0.05
    10   1     0.06  -0.23   0.12     0.06  -0.09   0.02    -0.03   0.13  -0.06
    11   6     0.02   0.00   0.01     0.03  -0.01  -0.01    -0.03  -0.00   0.01
    12   6     0.02  -0.01   0.00     0.03  -0.01  -0.01    -0.03  -0.01  -0.01
    13   6    -0.02  -0.05  -0.06    -0.03   0.00  -0.02     0.02   0.01  -0.01
    14   1    -0.32   0.12  -0.38    -0.25  -0.06  -0.30     0.38   0.54  -0.18
    15   1    -0.10  -0.03   0.13     0.33  -0.05  -0.26     0.38   0.04  -0.37
    16   1    -0.02   0.10  -0.02     0.52  -0.01  -0.44     0.08  -0.01  -0.09
    17   1     0.04   0.11   0.13    -0.02   0.02   0.00     0.02   0.02   0.02
    18   1    -0.17   0.14   0.03     0.00  -0.02   0.05     0.03  -0.04   0.03
    19   1     0.12   0.08  -0.04     0.01  -0.06   0.02     0.04  -0.03   0.01
    20   1    -0.06  -0.04   0.04    -0.06   0.02   0.05     0.06   0.03  -0.04
    21   1    -0.02   0.03  -0.01    -0.09   0.02   0.01     0.09  -0.04  -0.01
    22   1    -0.02  -0.02  -0.04     0.02   0.01  -0.05     0.03   0.05   0.06
    23   1    -0.00   0.02   0.01    -0.05   0.05  -0.02     0.07   0.01   0.07
    24   1     0.02  -0.02   0.04     0.01  -0.04   0.05     0.05   0.08  -0.00
    25   1    -0.03   0.00   0.02    -0.08   0.02   0.04     0.06  -0.04  -0.03
    26   1    -0.21   0.23   0.11     0.13  -0.12  -0.08    -0.17   0.06  -0.02
    27   1     0.08  -0.09  -0.16    -0.09   0.07  -0.03     0.12  -0.09  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1361.0100              1398.6106              1418.2562
 Red. masses --      2.2085                 1.2098                 1.2782
 Frc consts  --      2.4103                 1.3943                 1.5148
 IR Inten    --      2.0251                 5.0837                 4.6160
 RamAct Fr= 1--      2.8217                 0.5909                 0.3798
  Dep-P Fr= 1--      0.6989                 0.3542                 0.0262
  Dep-U Fr= 1--      0.8227                 0.5231                 0.0511
 Alpha2 Fr= 1--      0.0025                 0.0051                 0.0079
 Beta2  Fr= 1--      0.3869                 0.0515                 0.0032
 AlphaG Fr= 1--     -0.0074                -0.0174                -0.0026
 Gamma2 Fr= 1--      0.4260                 0.3364                -0.0501
 Delta2 Fr= 1--      0.0326                 0.0597                -0.0205
 Raman1 Fr= 1--      11.287                  2.364                  1.519
 ROA1   Fr= 1--      41.941                 34.206                 -5.469
 CID1   Fr= 1--       3.716                 14.472                 -3.600
 Raman2 Fr= 1--       4.643                  0.618                  0.039
 ROA2   Fr= 1--       9.964                  7.596                 -1.039
 CID2   Fr= 1--       2.146                 12.286                -26.752
 Raman3 Fr= 1--       9.286                  1.236                  0.078
 ROA3   Fr= 1--      41.941                 34.206                 -5.469
 CID3   Fr= 1--       4.516                 27.664                -70.403
 RC180  Fr= 1--       0.645                  0.046                 -0.898
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22  -0.07  -0.00     0.01  -0.01   0.00     0.03  -0.02   0.00
     2   6    -0.07   0.10  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.11   0.02  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.01
     4   8     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
     5   6     0.05  -0.01   0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6    -0.04  -0.01  -0.04    -0.01   0.00  -0.01    -0.00   0.00   0.01
     7   6    -0.03  -0.01   0.03     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.05   0.01   0.00    -0.00   0.00   0.00    -0.13   0.08  -0.01
     9   1     0.17  -0.25   0.06     0.02  -0.01   0.00    -0.02   0.01  -0.00
    10   1     0.21  -0.52   0.10     0.01  -0.03  -0.01    -0.01  -0.00   0.02
    11   6    -0.03  -0.01   0.01     0.06   0.04  -0.07     0.00   0.00  -0.00
    12   6    -0.02   0.00  -0.01    -0.06   0.02  -0.07     0.00   0.00   0.00
    13   6    -0.09   0.06   0.03    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   1     0.22   0.03   0.16     0.02  -0.00   0.02    -0.01   0.01  -0.01
    15   1     0.15  -0.03  -0.13    -0.01   0.02  -0.04    -0.01   0.00   0.01
    16   1     0.05  -0.03  -0.04    -0.00   0.02   0.02    -0.01   0.00   0.00
    17   1    -0.05   0.05   0.04    -0.01   0.00   0.00     0.50  -0.14  -0.12
    18   1    -0.10   0.11  -0.04    -0.00   0.01  -0.00     0.31  -0.48  -0.09
    19   1    -0.03   0.11  -0.04    -0.01   0.01  -0.00     0.50  -0.20   0.25
    20   1     0.11   0.05  -0.07    -0.32  -0.17   0.14    -0.01  -0.01   0.00
    21   1     0.10  -0.01  -0.09    -0.23  -0.05   0.38    -0.01  -0.00   0.02
    22   1     0.04   0.09  -0.03    -0.13  -0.33   0.23    -0.01  -0.02   0.00
    23   1     0.04  -0.02   0.02     0.31  -0.01   0.17    -0.01  -0.00  -0.01
    24   1     0.03   0.04   0.02     0.16   0.08   0.35    -0.01  -0.01  -0.01
    25   1     0.06  -0.03  -0.01     0.23  -0.23   0.24    -0.01   0.01  -0.01
    26   1     0.25  -0.12  -0.01     0.01  -0.04  -0.03    -0.01   0.00  -0.00
    27   1     0.30  -0.27  -0.06     0.01   0.01  -0.04    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.2132              1483.1445              1489.0081
 Red. masses --      1.2232                 1.0503                 1.0552
 Frc consts  --      1.4578                 1.3612                 1.3784
 IR Inten    --     11.0903                 1.5530                 1.9932
 RamAct Fr= 1--      0.3638                 1.8450                 3.1946
  Dep-P Fr= 1--      0.6538                 0.7500                 0.7499
  Dep-U Fr= 1--      0.7906                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0479                 0.2636                 0.4563
 AlphaG Fr= 1--     -0.0001                 0.0004                -0.0005
 Gamma2 Fr= 1--      0.2936                -1.5588                 1.4168
 Delta2 Fr= 1--     -0.0142                -0.7534                 0.5817
 Raman1 Fr= 1--       1.455                  7.380                 12.778
 ROA1   Fr= 1--      27.728               -173.750                154.628
 CID1   Fr= 1--      19.054                -23.543                 12.101
 Raman2 Fr= 1--       0.575                  3.163                  5.476
 ROA2   Fr= 1--       7.160                -31.383                 29.350
 CID2   Fr= 1--      12.446                 -9.923                  5.360
 Raman3 Fr= 1--       1.151                  6.326                 10.952
 ROA3   Fr= 1--      27.728               -173.750                154.628
 CID3   Fr= 1--      24.099                -27.468                 14.119
 RC180  Fr= 1--       0.581                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.01
     2   6     0.00  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.00   0.02
     3   6     0.03   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   8    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.03  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6     0.02   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.01
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.03
     9   1    -0.02   0.01  -0.00    -0.11  -0.04   0.02     0.21   0.08  -0.04
    10   1    -0.01   0.03   0.01    -0.02   0.03   0.11     0.03  -0.05  -0.21
    11   6    -0.05  -0.04   0.06     0.02   0.01   0.03     0.01  -0.01   0.00
    12   6    -0.06   0.02  -0.07    -0.02  -0.03   0.02    -0.01   0.01   0.02
    13   6     0.00  -0.01  -0.01    -0.01  -0.00  -0.02    -0.00  -0.00  -0.01
    14   1    -0.09  -0.07  -0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    15   1    -0.06   0.02   0.01     0.02  -0.01   0.00     0.14  -0.14   0.18
    16   1     0.01   0.04   0.01    -0.01  -0.01   0.00    -0.06  -0.25  -0.05
    17   1     0.03  -0.01  -0.01    -0.01   0.01   0.01     0.30  -0.03  -0.01
    18   1     0.01  -0.02   0.01     0.01  -0.00  -0.01    -0.11  -0.04   0.43
    19   1     0.02  -0.02   0.02     0.01   0.01  -0.00    -0.31  -0.21   0.02
    20   1     0.28   0.15  -0.12     0.27  -0.12  -0.18     0.03   0.20   0.03
    21   1     0.21   0.04  -0.33    -0.28   0.08   0.11    -0.18   0.11  -0.12
    22   1     0.13   0.31  -0.20    -0.25  -0.18  -0.37    -0.06  -0.11   0.03
    23   1     0.32  -0.01   0.18    -0.28   0.24  -0.04    -0.02  -0.26  -0.14
    24   1     0.18   0.09   0.39     0.27   0.38  -0.17     0.05   0.02   0.16
    25   1     0.25  -0.25   0.27     0.27  -0.15  -0.01     0.17   0.01  -0.25
    26   1     0.01   0.03   0.03     0.09   0.08   0.09     0.02   0.05   0.04
    27   1    -0.05   0.02   0.04    -0.01  -0.07   0.13    -0.00  -0.03   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1490.0830              1495.3768              1501.0864
 Red. masses --      1.0540                 1.0526                 1.0710
 Frc consts  --      1.3789                 1.3868                 1.4218
 IR Inten    --      3.7831                 5.8276                 7.9858
 RamAct Fr= 1--      7.0813                 3.3707                 3.4013
  Dep-P Fr= 1--      0.7500                 0.7197                 0.7310
  Dep-U Fr= 1--      0.8571                 0.8370                 0.8446
 Alpha2 Fr= 1--      0.0000                 0.0018                 0.0011
 Beta2  Fr= 1--      1.0116                 0.4702                 0.4788
 AlphaG Fr= 1--      0.0003                 0.0036                -0.0030
 Gamma2 Fr= 1--     -2.1115                 1.7486                -1.0641
 Delta2 Fr= 1--     -0.6181                 1.6035                -0.9952
 Raman1 Fr= 1--      28.325                 13.483                 13.605
 ROA1   Fr= 1--    -222.484                219.174               -133.998
 CID1   Fr= 1--      -7.855                 16.256                 -9.849
 Raman2 Fr= 1--      12.139                  5.643                  5.746
 ROA2   Fr= 1--     -45.731                 29.138                -17.577
 CID2   Fr= 1--      -3.767                  5.164                 -3.059
 Raman3 Fr= 1--      24.278                 11.285                 11.491
 ROA3   Fr= 1--    -222.484                219.174               -133.998
 CID3   Fr= 1--      -9.164                 19.421                -11.661
 RC180  Fr= 1--       0.714                  0.674                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.02    -0.01  -0.02  -0.02     0.02   0.02  -0.00
     2   6    -0.00  -0.00   0.00     0.02   0.00  -0.02     0.03  -0.00  -0.03
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00  -0.00
     4   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.01  -0.02   0.01     0.00  -0.00  -0.00     0.01  -0.02   0.00
     8   6     0.00   0.01  -0.03    -0.02  -0.03  -0.02     0.01   0.02  -0.00
     9   1     0.01  -0.02   0.01    -0.24  -0.13   0.06    -0.39  -0.13   0.07
    10   1    -0.00  -0.01   0.00    -0.04   0.07   0.24    -0.05   0.07   0.40
    11   6    -0.02   0.02   0.00     0.01  -0.01  -0.00     0.01  -0.01   0.00
    12   6     0.01  -0.02  -0.01    -0.00   0.01   0.00     0.01   0.01  -0.01
    13   6     0.00   0.00   0.02    -0.00   0.00  -0.00    -0.02  -0.00  -0.03
    14   1     0.01  -0.01   0.01     0.01   0.01   0.00     0.03   0.02  -0.01
    15   1    -0.11   0.10  -0.12    -0.03   0.03  -0.02    -0.09   0.10  -0.13
    16   1     0.03   0.17   0.04     0.01   0.04   0.01     0.04   0.18   0.04
    17   1     0.35   0.06   0.10     0.14   0.38   0.44     0.05  -0.19  -0.21
    18   1    -0.09  -0.10   0.49     0.13  -0.31   0.16    -0.11   0.14   0.10
    19   1    -0.33  -0.11  -0.03     0.01   0.44  -0.23    -0.14  -0.29   0.11
    20   1     0.01  -0.27  -0.08    -0.04   0.16   0.06     0.03   0.19   0.03
    21   1     0.18  -0.13   0.17    -0.07   0.07  -0.11    -0.19   0.11  -0.10
    22   1     0.03   0.12  -0.11     0.00  -0.05   0.10    -0.07  -0.13   0.04
    23   1     0.00   0.26   0.13     0.01  -0.11  -0.04     0.14  -0.06   0.05
    24   1    -0.04   0.01  -0.17    -0.01  -0.03   0.06    -0.14  -0.17   0.04
    25   1    -0.15  -0.02   0.24     0.04   0.02  -0.08    -0.16   0.07   0.04
    26   1    -0.07  -0.06  -0.06     0.04   0.02   0.03     0.14   0.14   0.15
    27   1     0.01   0.05  -0.11    -0.01  -0.02   0.07     0.02  -0.13   0.20
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.1899              1509.7741              1515.6307
 Red. masses --      1.0642                 1.0733                 1.0705
 Frc consts  --      1.4149                 1.4414                 1.4489
 IR Inten    --      0.9166                10.5588                 9.8984
 RamAct Fr= 1--      8.0138                 4.4663                 2.6456
  Dep-P Fr= 1--      0.7299                 0.6707                 0.7304
  Dep-U Fr= 1--      0.8439                 0.8029                 0.8442
 Alpha2 Fr= 1--      0.0028                 0.0063                 0.0009
 Beta2  Fr= 1--      1.1271                 0.5976                 0.3722
 AlphaG Fr= 1--      0.0105                 0.0187                 0.0029
 Gamma2 Fr= 1--      1.4376                 0.6946                -1.7581
 Delta2 Fr= 1--      0.6456                -0.3094                -0.6410
 Raman1 Fr= 1--      32.055                 17.865                 10.582
 ROA1   Fr= 1--     158.672                 56.782               -189.290
 CID1   Fr= 1--       4.950                  3.178                -17.888
 Raman2 Fr= 1--      13.525                  7.172                  4.467
 ROA2   Fr= 1--      29.338                 19.146                -37.067
 CID2   Fr= 1--       2.169                  2.670                 -8.299
 Raman3 Fr= 1--      27.050                 14.344                  8.933
 ROA3   Fr= 1--     158.672                 56.782               -189.290
 CID3   Fr= 1--       5.866                  3.959                -21.189
 RC180  Fr= 1--       0.688                  0.606                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.00  -0.00
     2   6     0.01   0.00  -0.02    -0.02  -0.00   0.02    -0.01  -0.00   0.02
     3   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01   0.00
     5   6    -0.03  -0.02  -0.01     0.02  -0.02  -0.00     0.01  -0.02  -0.01
     6   6     0.00   0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.04   0.01    -0.00   0.01  -0.00
     8   6     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.18  -0.07   0.04     0.22   0.08  -0.04     0.19   0.07  -0.04
    10   1    -0.02   0.03   0.20     0.03  -0.05  -0.22     0.02  -0.03  -0.20
    11   6    -0.00  -0.01  -0.03     0.02  -0.03   0.01     0.00  -0.01  -0.02
    12   6    -0.01  -0.02   0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.01
    13   6     0.01  -0.00   0.02     0.01   0.00   0.03    -0.02  -0.00  -0.05
    14   1    -0.01  -0.00   0.00     0.01   0.00   0.01     0.01   0.01   0.00
    15   1    -0.06   0.04  -0.04    -0.19   0.18  -0.23     0.05  -0.05   0.06
    16   1     0.01   0.09   0.02     0.08   0.33   0.07    -0.03  -0.10  -0.02
    17   1     0.02  -0.09  -0.10    -0.01   0.01   0.02     0.02   0.03   0.04
    18   1    -0.05   0.07   0.04     0.01  -0.01  -0.02     0.02  -0.04   0.01
    19   1    -0.07  -0.13   0.05     0.02   0.03  -0.01     0.02   0.04  -0.02
    20   1    -0.26   0.16   0.19     0.11   0.38   0.03    -0.17   0.21   0.15
    21   1     0.21  -0.03  -0.15    -0.33   0.22  -0.25     0.02   0.04  -0.15
    22   1     0.21   0.13   0.35    -0.12  -0.22   0.03     0.09  -0.01   0.26
    23   1    -0.29   0.08  -0.12    -0.01   0.11   0.05    -0.03   0.38   0.17
    24   1     0.25   0.33  -0.10    -0.02   0.02  -0.10     0.01   0.09  -0.24
    25   1     0.32  -0.12  -0.12    -0.05  -0.02   0.09    -0.11  -0.07   0.31
    26   1    -0.10  -0.08  -0.08    -0.19  -0.14  -0.17     0.26   0.22   0.24
    27   1     0.01   0.07  -0.14     0.01   0.13  -0.25    -0.03  -0.18   0.37
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1533.0671              1811.5935              3034.1187
 Red. masses --      1.0897                12.3153                 1.0356
 Frc consts  --      1.5090                23.8131                 5.6172
 IR Inten    --      6.7608               201.4254                26.9812
 RamAct Fr= 1--      7.3639                13.0952               127.3948
  Dep-P Fr= 1--      0.7491                 0.6186                 0.0162
  Dep-U Fr= 1--      0.8565                 0.7644                 0.0318
 Alpha2 Fr= 1--      0.0001                 0.0315                 2.7259
 Beta2  Fr= 1--      1.0512                 1.6683                 0.6755
 AlphaG Fr= 1--      0.0024                 0.0163                -0.1475
 Gamma2 Fr= 1--      0.5041                -0.3757                -0.0346
 Delta2 Fr= 1--     -0.0836                 1.7099                 0.0659
 Raman1 Fr= 1--      29.455                 52.381                509.579
 ROA1   Fr= 1--      45.718                 18.654                 -1.216
 CID1   Fr= 1--       1.552                  0.356                 -0.002
 Raman2 Fr= 1--      12.615                 20.020                  8.106
 ROA2   Fr= 1--      12.768                -22.695                 -1.358
 CID2   Fr= 1--       1.012                 -1.134                 -0.168
 Raman3 Fr= 1--      25.230                 40.039                 16.212
 ROA3   Fr= 1--      45.718                 18.654                 -1.216
 CID3   Fr= 1--       1.812                  0.466                 -0.075
 RC180  Fr= 1--       0.713                  0.529                 -0.936
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.00    -0.01  -0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.02  -0.01   0.02    -0.00  -0.02   0.01     0.01   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.05   0.71   0.38     0.00   0.00   0.00
     4   8    -0.00   0.00   0.00    -0.03  -0.46  -0.25     0.00  -0.00  -0.00
     5   6    -0.01   0.02   0.01    -0.01  -0.04  -0.02    -0.00  -0.00  -0.00
     6   6     0.01  -0.01  -0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
     7   6     0.01  -0.05   0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.04   0.02  -0.01
     9   1     0.20   0.08  -0.04     0.03   0.05  -0.01     0.01   0.02   0.05
    10   1     0.02  -0.03  -0.22    -0.02   0.03  -0.07    -0.07  -0.03  -0.01
    11   6    -0.01   0.01  -0.01     0.01   0.01  -0.01     0.00   0.00  -0.00
    12   6    -0.01   0.01   0.02     0.01   0.00   0.01    -0.00   0.00  -0.00
    13   6    -0.01   0.00  -0.04    -0.00  -0.02  -0.02     0.00   0.00   0.00
    14   1    -0.01  -0.02  -0.02     0.01  -0.03  -0.03    -0.00   0.00  -0.00
    15   1    -0.24   0.24  -0.31    -0.00   0.01  -0.02     0.01   0.02   0.01
    16   1     0.12   0.44   0.09    -0.00   0.01   0.01    -0.01   0.00  -0.01
    17   1     0.01   0.01   0.02     0.04   0.03   0.01    -0.08  -0.40   0.37
    18   1     0.01  -0.02  -0.00     0.07  -0.10  -0.01     0.51   0.36   0.17
    19   1     0.01   0.01  -0.01     0.03   0.04   0.02     0.08  -0.21  -0.45
    20   1    -0.05  -0.15  -0.01    -0.03   0.01   0.01     0.01  -0.00   0.02
    21   1     0.11  -0.09   0.11    -0.06   0.03   0.03    -0.01  -0.02  -0.01
    22   1     0.05   0.08  -0.01    -0.04  -0.09   0.04    -0.02   0.02   0.01
    23   1    -0.08  -0.24  -0.16    -0.04   0.03   0.01    -0.02  -0.01   0.03
    24   1     0.05   0.02   0.12    -0.05  -0.02  -0.10     0.05  -0.04  -0.02
    25   1     0.15   0.03  -0.26    -0.04   0.04   0.02     0.02   0.03   0.01
    26   1     0.20   0.16   0.18     0.01   0.03   0.03     0.01   0.03  -0.03
    27   1    -0.01  -0.15   0.28    -0.03  -0.02   0.01    -0.04  -0.04  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.8600              3038.9537              3048.8986
 Red. masses --      1.0371                 1.0381                 1.0611
 Frc consts  --      5.6277                 5.6486                 5.8113
 IR Inten    --     16.4192                30.2370                29.7630
 RamAct Fr= 1--      6.5343               282.9305                75.9254
  Dep-P Fr= 1--      0.6152                 0.0309                 0.2485
  Dep-U Fr= 1--      0.7618                 0.0599                 0.3981
 Alpha2 Fr= 1--      0.0162                 5.8477                 0.9035
 Beta2  Fr= 1--      0.8296                 2.8263                 5.0380
 AlphaG Fr= 1--     -0.0293                -0.3783                -0.3918
 Gamma2 Fr= 1--     -0.7531                 2.2433                 4.4066
 Delta2 Fr= 1--     -0.5054                 0.2555                -4.5107
 Raman1 Fr= 1--      26.137               1131.722                303.702
 ROA1   Fr= 1--     -88.468                223.530                278.686
 CID1   Fr= 1--      -3.385                  0.198                  0.918
 Raman2 Fr= 1--       9.955                 33.916                 60.456
 ROA2   Fr= 1--     -14.030                 51.795                141.843
 CID2   Fr= 1--      -1.409                  1.527                  2.346
 Raman3 Fr= 1--      19.910                 67.831                120.912
 ROA3   Fr= 1--     -88.468                223.530                278.686
 CID3   Fr= 1--      -4.443                  3.295                  2.305
 RC180  Fr= 1--       0.524                 -0.880                 -0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.05  -0.01   0.04
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.03   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.08  -0.16  -0.49
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.68   0.32   0.08
    11   6    -0.03  -0.01   0.02    -0.02  -0.01   0.02    -0.00   0.00  -0.00
    12   6     0.03  -0.01   0.01    -0.03   0.02  -0.02    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1    -0.01   0.01   0.01    -0.02   0.02   0.02    -0.03   0.03   0.03
    15   1    -0.01  -0.01  -0.01     0.01   0.02   0.01    -0.14  -0.28  -0.13
    16   1     0.02  -0.01   0.02    -0.02   0.01  -0.03     0.08  -0.03   0.10
    17   1    -0.01  -0.04   0.03     0.00   0.02  -0.01    -0.01  -0.05   0.04
    18   1     0.05   0.03   0.02    -0.02  -0.01  -0.01     0.04   0.03   0.01
    19   1     0.01  -0.02  -0.04    -0.00   0.01   0.02     0.01  -0.02  -0.04
    20   1    -0.20   0.07  -0.30    -0.16   0.05  -0.24     0.00  -0.00   0.00
    21   1     0.12   0.34   0.15     0.09   0.26   0.11     0.00   0.00   0.00
    22   1     0.45  -0.33  -0.14     0.34  -0.25  -0.11     0.01  -0.01  -0.00
    23   1     0.14   0.10  -0.19    -0.18  -0.13   0.26    -0.00  -0.00   0.00
    24   1    -0.33   0.30   0.13     0.43  -0.38  -0.16     0.02  -0.02  -0.01
    25   1    -0.12  -0.25  -0.09     0.15   0.32   0.11     0.01   0.01   0.01
    26   1    -0.01  -0.04   0.04    -0.02  -0.04   0.05     0.01   0.03  -0.03
    27   1     0.02   0.02   0.01     0.04   0.05   0.02    -0.03  -0.03  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.5550              3061.7970              3084.8753
 Red. masses --      1.0620                 1.0691                 1.0961
 Frc consts  --      5.8416                 5.9050                 6.1455
 IR Inten    --     27.6999                35.1386                13.8919
 RamAct Fr= 1--     94.5491               223.5591               126.4184
  Dep-P Fr= 1--      0.1473                 0.0988                 0.2875
  Dep-U Fr= 1--      0.2568                 0.1798                 0.4467
 Alpha2 Fr= 1--      1.4716                 3.9257                 1.3454
 Beta2  Fr= 1--      4.0466                 6.7005                 9.4109
 AlphaG Fr= 1--      1.2374                -0.1580                 1.1613
 Gamma2 Fr= 1--     16.7261               -16.6728                18.2983
 Delta2 Fr= 1--      7.6236                -5.2479                 7.6937
 Raman1 Fr= 1--     378.196                894.236                505.673
 ROA1   Fr= 1--    1849.664              -1768.522               2002.831
 CID1   Fr= 1--       4.891                 -1.978                  3.961
 Raman2 Fr= 1--      48.559                 80.406                112.931
 ROA2   Fr= 1--     340.438               -358.164                377.609
 CID2   Fr= 1--       7.011                 -4.454                  3.344
 Raman3 Fr= 1--      97.118                160.813                225.862
 ROA3   Fr= 1--    1849.664              -1768.522               2002.831
 CID3   Fr= 1--      19.046                -10.997                  8.867
 RC180  Fr= 1--      -0.486                 -0.640                 -0.107
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.01   0.00   0.03    -0.03  -0.03  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.01    -0.01   0.01   0.01    -0.04   0.03   0.04
     7   6     0.00   0.02   0.00    -0.01  -0.06  -0.01     0.01   0.01   0.02
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1     0.01   0.02   0.05    -0.05  -0.11  -0.34     0.06   0.15   0.49
    10   1    -0.02  -0.01  -0.00     0.16   0.08   0.02     0.32   0.15   0.02
    11   6     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   6    -0.03  -0.02  -0.05    -0.01  -0.00  -0.01     0.01   0.01   0.01
    14   1     0.06  -0.06  -0.07     0.17  -0.16  -0.17     0.42  -0.40  -0.43
    15   1    -0.11  -0.22  -0.11     0.32   0.65   0.31    -0.05  -0.11  -0.05
    16   1     0.05  -0.01   0.06    -0.16   0.05  -0.19    -0.12   0.05  -0.14
    17   1    -0.01  -0.03   0.03    -0.00  -0.02   0.01    -0.00  -0.02   0.02
    18   1     0.03   0.02   0.01     0.02   0.01   0.01    -0.04  -0.03  -0.01
    19   1     0.01  -0.02  -0.03     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.00  -0.01    -0.01   0.00  -0.02
    21   1    -0.01  -0.05  -0.02    -0.00  -0.00  -0.00     0.02   0.04   0.02
    22   1    -0.08   0.06   0.03    -0.02   0.02   0.01     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.01    -0.00  -0.00   0.01    -0.02  -0.02   0.04
    24   1    -0.01   0.01   0.00    -0.03   0.03   0.01    -0.01   0.01   0.00
    25   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
    26   1    -0.12  -0.31   0.34    -0.03  -0.09   0.10     0.00   0.01  -0.01
    27   1     0.53   0.55   0.26     0.13   0.13   0.06    -0.09  -0.09  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.6215              3094.9777              3097.2986
 Red. masses --      1.0929                 1.1018                 1.1015
 Frc consts  --      6.1389                 6.2183                 6.2257
 IR Inten    --     40.2239                18.2200                12.1475
 RamAct Fr= 1--    167.7353                59.0861                49.5325
  Dep-P Fr= 1--      0.0810                 0.7170                 0.7311
  Dep-U Fr= 1--      0.1499                 0.8351                 0.8447
 Alpha2 Fr= 1--      3.0756                 0.0337                 0.0160
 Beta2  Fr= 1--      4.1906                 8.2243                 6.9732
 AlphaG Fr= 1--     -0.5744                -0.1064                -0.1156
 Gamma2 Fr= 1--    -30.5599                14.6576                13.9964
 Delta2 Fr= 1--    -15.4694                 9.5075                 3.5906
 Raman1 Fr= 1--     670.941                236.344                198.130
 ROA1   Fr= 1--   -3428.769               1711.366               1458.555
 CID1   Fr= 1--      -5.110                  7.241                  7.362
 Raman2 Fr= 1--      50.287                 98.691                 83.678
 ROA2   Fr= 1--    -609.683                275.722                307.190
 CID2   Fr= 1--     -12.124                  2.794                  3.671
 Raman3 Fr= 1--     100.575                197.382                167.356
 ROA3   Fr= 1--   -3428.769               1711.366               1458.555
 CID3   Fr= 1--     -34.092                  8.670                  8.715
 RC180  Fr= 1--      -0.700                  0.670                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.04  -0.03  -0.04    -0.01  -0.01  -0.01     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.03  -0.03  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.02   0.01     0.00  -0.00   0.00     0.01   0.00   0.01
     8   6     0.01   0.01   0.00    -0.05  -0.07   0.01    -0.01  -0.02  -0.00
     9   1     0.05   0.14   0.46     0.01   0.03   0.09    -0.00  -0.00  -0.01
    10   1     0.40   0.18   0.03     0.09   0.04   0.01    -0.01  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.05   0.06  -0.01
    12   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.02
    13   6    -0.01  -0.01  -0.01     0.01   0.02  -0.01    -0.02  -0.04   0.02
    14   1    -0.36   0.34   0.36    -0.04   0.04   0.04     0.04  -0.04  -0.04
    15   1     0.09   0.17   0.08     0.01   0.01   0.01    -0.02  -0.03  -0.01
    16   1    -0.19   0.08  -0.23    -0.03   0.01  -0.04    -0.05   0.02  -0.06
    17   1    -0.01  -0.07   0.07     0.07   0.47  -0.44     0.01   0.09  -0.09
    18   1    -0.08  -0.05  -0.03     0.54   0.37   0.19     0.12   0.08   0.04
    19   1     0.01  -0.02  -0.04    -0.04   0.05   0.15    -0.01   0.02   0.05
    20   1     0.01  -0.00   0.02    -0.05   0.02  -0.08     0.25  -0.07   0.39
    21   1    -0.02  -0.04  -0.02     0.01   0.01   0.01    -0.12  -0.28  -0.13
    22   1    -0.00  -0.00   0.00    -0.07   0.05   0.02     0.43  -0.30  -0.14
    23   1    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.08  -0.07   0.11
    24   1    -0.04   0.04   0.01     0.00  -0.00  -0.00    -0.13   0.12   0.05
    25   1    -0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.08   0.15   0.05
    26   1    -0.00  -0.01   0.01    -0.04  -0.12   0.14     0.09   0.25  -0.29
    27   1     0.09   0.09   0.05    -0.06  -0.06  -0.03     0.18   0.18   0.10
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3101.2637              3102.0487              3104.8809
 Red. masses --      1.0998                 1.1009                 1.1006
 Frc consts  --      6.2323                 6.2419                 6.2513
 IR Inten    --     15.4840                19.1886                28.9548
 RamAct Fr= 1--     80.2896                52.0554                83.7233
  Dep-P Fr= 1--      0.7403                 0.7176                 0.6482
  Dep-U Fr= 1--      0.8508                 0.8356                 0.7865
 Alpha2 Fr= 1--      0.0132                 0.0291                 0.1533
 Beta2  Fr= 1--     11.3849                 7.2493                10.9750
 AlphaG Fr= 1--     -0.0475                -0.1732                -0.0413
 Gamma2 Fr= 1--    -11.8961               -15.3577               -34.7276
 Delta2 Fr= 1--    -13.4065                -7.5257                -1.5986
 Raman1 Fr= 1--     321.158                208.221                334.893
 ROA1   Fr= 1--   -1571.036              -1715.164              -3385.009
 CID1   Fr= 1--      -4.892                 -8.237                -10.108
 Raman2 Fr= 1--     136.619                 86.992                131.700
 ROA2   Fr= 1--    -178.254               -308.380               -820.674
 CID2   Fr= 1--      -1.305                 -3.545                 -6.231
 Raman3 Fr= 1--     273.238                173.984                263.400
 ROA3   Fr= 1--   -1571.036              -1715.164              -3385.009
 CID3   Fr= 1--      -5.750                 -9.858                -12.851
 RC180  Fr= 1--       0.702                  0.671                  0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.02
     8   6     0.00   0.01   0.02     0.00  -0.01  -0.09    -0.00  -0.01   0.01
     9   1    -0.01  -0.02  -0.06     0.00  -0.00   0.00    -0.01  -0.02  -0.07
    10   1    -0.04  -0.02  -0.00    -0.01  -0.00  -0.00    -0.06  -0.02  -0.00
    11   6     0.01   0.01   0.02     0.01  -0.00   0.00     0.01  -0.06  -0.02
    12   6     0.03  -0.06  -0.05     0.01  -0.01  -0.01     0.02  -0.01  -0.02
    13   6     0.02   0.03  -0.01     0.00   0.00  -0.00    -0.02  -0.04   0.02
    14   1    -0.02   0.02   0.02    -0.01   0.01   0.01     0.00   0.00   0.00
    15   1    -0.02  -0.05  -0.02    -0.01  -0.02  -0.01    -0.04  -0.08  -0.04
    16   1    -0.04   0.02  -0.05    -0.03   0.01  -0.03    -0.14   0.06  -0.17
    17   1     0.01   0.03  -0.02    -0.06  -0.35   0.31     0.01   0.07  -0.06
    18   1    -0.09  -0.06  -0.03     0.18   0.13   0.04     0.03   0.02   0.01
    19   1     0.04  -0.08  -0.17    -0.15   0.35   0.72     0.01  -0.02  -0.05
    20   1    -0.09   0.03  -0.14    -0.04   0.01  -0.06    -0.03  -0.00  -0.05
    21   1    -0.05  -0.14  -0.06     0.00   0.01   0.00     0.18   0.48   0.20
    22   1    -0.02   0.02   0.01    -0.04   0.03   0.01    -0.30   0.20   0.09
    23   1    -0.17  -0.15   0.26    -0.04  -0.04   0.07    -0.14  -0.11   0.21
    24   1    -0.39   0.34   0.13    -0.09   0.08   0.03    -0.15   0.14   0.05
    25   1     0.25   0.48   0.16     0.05   0.10   0.04     0.04   0.07   0.02
    26   1    -0.08  -0.21   0.24    -0.01  -0.02   0.02     0.12   0.32  -0.38
    27   1    -0.14  -0.14  -0.08    -0.02  -0.01  -0.01     0.18   0.18   0.10
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3111.3452              3117.0360              3120.4785
 Red. masses --      1.1012                 1.1003                 1.0984
 Frc consts  --      6.2809                 6.2987                 6.3014
 IR Inten    --     38.7663                35.5906                19.9238
 RamAct Fr= 1--     45.8851                42.5029                91.3702
  Dep-P Fr= 1--      0.3336                 0.7126                 0.6217
  Dep-U Fr= 1--      0.5003                 0.8322                 0.7667
 Alpha2 Fr= 1--      0.4245                 0.0275                 0.2143
 Beta2  Fr= 1--      3.8258                 5.8948                11.6755
 AlphaG Fr= 1--     -0.2802                -0.0430                -0.1436
 Gamma2 Fr= 1--     12.9195                29.9031                 2.9845
 Delta2 Fr= 1--      0.4844                13.9061                 3.8012
 Raman1 Fr= 1--     183.540                170.012                365.481
 ROA1   Fr= 1--    1255.777               3315.694                408.146
 CID1   Fr= 1--       6.842                 19.503                  1.117
 Raman2 Fr= 1--      45.910                 70.738                140.106
 ROA2   Fr= 1--     306.194                606.426                 41.218
 CID2   Fr= 1--       6.669                  8.573                  0.294
 Raman3 Fr= 1--      91.819                141.476                280.211
 ROA3   Fr= 1--    1255.777               3315.694                408.146
 CID3   Fr= 1--      13.677                 23.436                  1.457
 RC180  Fr= 1--       0.001                  0.664                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.04  -0.00  -0.05    -0.01  -0.00  -0.01    -0.03   0.00  -0.04
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.02   0.06   0.19     0.00   0.01   0.04     0.01   0.04   0.12
    10   1     0.13   0.06   0.01     0.03   0.01   0.00     0.08   0.04   0.01
    11   6     0.01  -0.01   0.00    -0.05  -0.03  -0.06     0.01   0.00   0.01
    12   6    -0.03  -0.05   0.01     0.00  -0.00  -0.01     0.05   0.04  -0.03
    13   6    -0.01  -0.02   0.01     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1     0.02  -0.02  -0.02    -0.02   0.02   0.02     0.00  -0.00  -0.00
    15   1     0.10   0.21   0.09     0.03   0.06   0.02     0.07   0.16   0.07
    16   1     0.38  -0.16   0.46     0.11  -0.05   0.13     0.34  -0.15   0.41
    17   1     0.00   0.02  -0.02    -0.00  -0.02   0.02     0.00   0.00  -0.00
    18   1     0.03   0.02   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.00   0.00   0.01    -0.00   0.01   0.01    -0.00   0.00   0.01
    20   1    -0.05   0.02  -0.08     0.38  -0.13   0.58    -0.06   0.02  -0.09
    21   1     0.03   0.06   0.03     0.17   0.48   0.19    -0.03  -0.08  -0.03
    22   1    -0.06   0.05   0.02     0.03  -0.04  -0.03    -0.00   0.00   0.00
    23   1     0.19   0.14  -0.29    -0.04  -0.03   0.05    -0.34  -0.26   0.51
    24   1    -0.05   0.03   0.02    -0.04   0.03   0.01    -0.06   0.07   0.02
    25   1     0.20   0.42   0.16     0.02   0.04   0.02    -0.16  -0.34  -0.13
    26   1     0.05   0.15  -0.17    -0.08  -0.23   0.26     0.01   0.03  -0.04
    27   1     0.09   0.09   0.05    -0.09  -0.09  -0.05     0.02   0.02   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1156.156871542.294241871.71619
           X            0.99996  -0.00882   0.00167
           Y            0.00891   0.99756  -0.06919
           Z           -0.00106   0.06920   0.99760
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07492     0.05616     0.04628
 Rotational constants (GHZ):           1.56098     1.17017     0.96422
 Zero-point vibrational energy     632687.8 (Joules/Mol)
                                  151.21600 (Kcal/Mol)
 Warning -- explicit consideration of  16 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    123.56   264.55   276.93   290.50   304.01
          (Kelvin)            332.22   376.92   423.95   433.83   472.42
                              536.75   612.47   648.87   737.32   755.60
                              863.33   958.09  1042.86  1135.21  1196.03
                             1207.25  1218.89  1288.70  1294.34  1352.41
                             1372.70  1388.73  1394.71  1451.33  1465.85
                             1486.56  1499.62  1572.32  1621.13  1633.25
                             1695.23  1717.33  1757.98  1783.79  1796.63
                             1824.26  1837.51  1862.55  1902.68  1937.48
                             1958.19  2012.29  2040.55  2046.25  2133.91
                             2142.35  2143.90  2151.51  2159.73  2161.32
                             2172.23  2180.65  2205.74  2606.48  4365.42
                             4366.49  4372.38  4386.69  4396.26  4405.24
                             4438.45  4442.40  4452.98  4456.32  4462.03
                             4463.16  4467.23  4476.53  4484.72  4489.67
 
 Zero-point correction=                           0.240978 (Hartree/Particle)
 Thermal correction to Energy=                    0.251725
 Thermal correction to Enthalpy=                  0.252669
 Thermal correction to Gibbs Free Energy=         0.206044
 Sum of electronic and zero-point Energies=           -465.911457
 Sum of electronic and thermal Energies=              -465.900710
 Sum of electronic and thermal Enthalpies=            -465.899766
 Sum of electronic and thermal Free Energies=         -465.946392
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.960             43.409             98.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.591
 Vibrational            156.182             37.447             27.572
 Vibration     1          0.601              1.959              3.752
 Vibration     2          0.631              1.862              2.289
 Vibration     3          0.634              1.850              2.204
 Vibration     4          0.639              1.837              2.116
 Vibration     5          0.643              1.824              2.032
 Vibration     6          0.653              1.794              1.872
 Vibration     7          0.669              1.742              1.649
 Vibration     8          0.689              1.684              1.447
 Vibration     9          0.694              1.671              1.408
 Vibration    10          0.712              1.619              1.268
 Vibration    11          0.744              1.527              1.067
 Vibration    12          0.788              1.414              0.873
 Vibration    13          0.810              1.359              0.793
 Vibration    14          0.868              1.222              0.628
 Vibration    15          0.880              1.194              0.598
 Vibration    16          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.168493D-94        -94.773418       -218.223859
 Total V=0       0.117135D+17         16.068688         36.999522
 Vib (Bot)       0.349374-108       -108.456709       -249.730801
 Vib (Bot)    1  0.239572D+01          0.379437          0.873685
 Vib (Bot)    2  0.109088D+01          0.037776          0.086983
 Vib (Bot)    3  0.103889D+01          0.016570          0.038154
 Vib (Bot)    4  0.986818D+00         -0.005763         -0.013270
 Vib (Bot)    5  0.939482D+00         -0.027111         -0.062426
 Vib (Bot)    6  0.852655D+00         -0.069227         -0.159400
 Vib (Bot)    7  0.740708D+00         -0.130353         -0.300148
 Vib (Bot)    8  0.647342D+00         -0.188866         -0.434880
 Vib (Bot)    9  0.630166D+00         -0.200545         -0.461772
 Vib (Bot)   10  0.569620D+00         -0.244415         -0.562786
 Vib (Bot)   11  0.486998D+00         -0.312473         -0.719495
 Vib (Bot)   12  0.410684D+00         -0.386493         -0.889932
 Vib (Bot)   13  0.379939D+00         -0.420286         -0.967744
 Vib (Bot)   14  0.317150D+00         -0.498735         -1.148381
 Vib (Bot)   15  0.305900D+00         -0.514421         -1.184498
 Vib (Bot)   16  0.248834D+00         -0.604090         -1.390969
 Vib (V=0)       0.242883D+03          2.385397          5.492579
 Vib (V=0)    1  0.294734D+01          0.469431          1.080904
 Vib (V=0)    2  0.170001D+01          0.230451          0.530632
 Vib (V=0)    3  0.165295D+01          0.218260          0.502562
 Vib (V=0)    4  0.160626D+01          0.205816          0.473908
 Vib (V=0)    5  0.156425D+01          0.194306          0.447406
 Vib (V=0)    6  0.148844D+01          0.172732          0.397731
 Vib (V=0)    7  0.139367D+01          0.144160          0.331942
 Vib (V=0)    8  0.131796D+01          0.119901          0.276082
 Vib (V=0)    9  0.130443D+01          0.115421          0.265767
 Vib (V=0)   10  0.125794D+01          0.099658          0.229472
 Vib (V=0)   11  0.119797D+01          0.078447          0.180631
 Vib (V=0)   12  0.114704D+01          0.059579          0.137185
 Vib (V=0)   13  0.112798D+01          0.052300          0.120425
 Vib (V=0)   14  0.109210D+01          0.038263          0.088104
 Vib (V=0)   15  0.108615D+01          0.035891          0.082642
 Vib (V=0)   16  0.105850D+01          0.024689          0.056850
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.653970D+06          5.815558         13.390816
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000037599    0.000019168   -0.000005098
      2        6          -0.000002106    0.000008803   -0.000002381
      3        6          -0.000016150   -0.000039130    0.000016469
      4        8          -0.000004764    0.000001143   -0.000001256
      5        6           0.000011724    0.000019384   -0.000017198
      6        6           0.000002633   -0.000014174    0.000000313
      7        6          -0.000022461   -0.000025110    0.000014448
      8        6          -0.000006918    0.000008412   -0.000001871
      9        1           0.000016720    0.000003054   -0.000003343
     10        1           0.000003337    0.000002564   -0.000004853
     11        6          -0.000007239    0.000010104   -0.000002703
     12        6          -0.000001933   -0.000002322    0.000007317
     13        6          -0.000007911    0.000004980   -0.000010840
     14        1          -0.000003652   -0.000005885   -0.000005214
     15        1           0.000002695    0.000002058    0.000002364
     16        1           0.000003865    0.000000601   -0.000006832
     17        1           0.000000506   -0.000000629    0.000000907
     18        1          -0.000007328    0.000003835    0.000001678
     19        1          -0.000003484   -0.000001810   -0.000000522
     20        1          -0.000012374   -0.000001121    0.000004398
     21        1           0.000005471    0.000002947    0.000002104
     22        1          -0.000001534   -0.000001014    0.000001089
     23        1          -0.000001276   -0.000000580    0.000002169
     24        1           0.000007468    0.000001108    0.000001121
     25        1          -0.000002820   -0.000001290    0.000001659
     26        1           0.000010146    0.000001056    0.000010378
     27        1          -0.000000218    0.000003848   -0.000004305
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039130 RMS     0.000009953
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126109D+03  0.164011D+00 -0.482992D+00
      2   0.164011D+00  0.116109D+03  0.700813D+00
      3  -0.482992D+00  0.700813D+00  0.107070D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.171602D+01  0.829228D+01 -0.131755D+02
      2  -0.798541D+01 -0.107992D+00 -0.361011D+01
      3   0.172054D+02 -0.416451D+01 -0.230246D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.658751D+00 -0.202735D+02  0.117700D+00
      2   0.766646D+01  0.310109D+02 -0.246933D+02
      3  -0.700771D+01 -0.107373D+02  0.245756D+02
      4   0.879271D+01  0.101566D+02  0.262773D+01
      5   0.134587D+02  0.195673D+01 -0.128105D+02
      6   0.166340D+01 -0.926767D+01  0.162010D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.388115D+01  0.363978D+01  0.658997D+00  0.403495D+01 -0.838960D+00
      2   0.363978D+01 -0.660011D+00  0.114747D+01 -0.838960D+00 -0.427133D+01
      3   0.658997D+00  0.114747D+01  0.216173D+01  0.147142D+01  0.123969D+01
                 6             7             8             9            10 
      1   0.147142D+01  0.212448D+01  0.222503D+01  0.141740D+01 -0.418790D+01
      2   0.123969D+01  0.222503D+01  0.213890D+01 -0.380769D+01 -0.471423D+01
      3  -0.384487D+01  0.141740D+01 -0.380769D+01 -0.163045D+01 -0.262730D+00
                11            12            13            14            15 
      1  -0.471423D+01 -0.262730D+00 -0.398208D+01  0.462014D+00  0.392871D+00
      2  -0.331619D+00  0.564889D+00  0.462014D+00  0.236557D+01 -0.176038D+01
      3   0.564889D+00  0.810196D+00  0.392871D+00 -0.176038D+01  0.282361D+01
                16            17            18            19            20 
      1  -0.200022D+01 -0.685474D-01 -0.567054D+00 -0.733586D+00 -0.152798D+01
      2  -0.685474D-01 -0.332583D+01  0.272904D+01 -0.152798D+01  0.224693D+01
      3  -0.567054D+00  0.272904D+01  0.414567D+01 -0.862104D+00  0.479191D+00
                21            22            23            24            25 
      1  -0.862104D+00 -0.543315D+01  0.198827D+01  0.342874D+00 -0.284920D+01
      2   0.479191D+00  0.198827D+01  0.475481D+01  0.219351D+01  0.548275D+00
      3  -0.514049D+00  0.342874D+00  0.219351D+01  0.653560D+00 -0.922466D+00
                26            27            28            29            30 
      1   0.548275D+00 -0.922466D+00 -0.252364D+00 -0.222485D+01 -0.104238D+01
      2   0.247966D+01  0.180881D+01 -0.222485D+01 -0.384478D+00 -0.132569D+00
      3   0.180881D+01  0.909943D+00 -0.104238D+01 -0.132569D+00 -0.139629D+00
                31            32            33            34            35 
      1  -0.368535D+00 -0.521776D+00 -0.888955D-01 -0.393475D+00 -0.288398D+00
      2  -0.521776D+00 -0.118904D+02 -0.371234D+01 -0.288398D+00 -0.365235D+01
      3  -0.888955D-01 -0.371234D+01 -0.227319D+01  0.122403D+00 -0.390635D+01
                36            37            38            39            40 
      1   0.122403D+00 -0.308291D+01  0.875089D+00  0.601054D+00  0.252763D+01
      2  -0.390635D+01  0.875089D+00 -0.229020D+01 -0.277159D+01 -0.362105D+01
      3  -0.382152D+01  0.601054D+00 -0.277159D+01  0.276223D+01 -0.415508D+01
                41            42            43            44            45 
      1  -0.362105D+01 -0.415508D+01  0.134294D+01 -0.375962D+01  0.357691D+01
      2  -0.139060D+01 -0.109881D+01 -0.375962D+01 -0.179841D+01  0.253769D+00
      3  -0.109881D+01  0.101488D+01  0.357691D+01  0.253769D+00 -0.276193D+00
                46            47            48            49            50 
      1   0.118900D+01  0.520523D+00 -0.189028D+01  0.440939D+00  0.314731D+01
      2   0.520523D+00  0.209992D+01  0.421099D+01  0.314731D+01  0.740452D+00
      3  -0.189028D+01  0.421099D+01 -0.629623D+00  0.491381D+01  0.556786D-01
                51            52            53            54            55 
      1   0.491381D+01 -0.147983D+01  0.473939D+01  0.158801D-01  0.127414D+00
      2   0.556786D-01  0.473939D+01  0.854425D+00 -0.212451D+01  0.449945D+00
      3  -0.104025D+01  0.158801D-01 -0.212451D+01 -0.213740D+00  0.114507D+01
                56            57            58            59            60 
      1   0.449945D+00  0.114507D+01  0.125761D+01 -0.213765D+01 -0.280367D+01
      2  -0.226135D+01 -0.329027D+01 -0.213765D+01 -0.309806D+01 -0.116519D+01
      3  -0.329027D+01  0.178879D+01 -0.280367D+01 -0.116519D+01  0.389600D+00
                61            62            63            64            65 
      1   0.103344D+01 -0.344485D+01  0.245062D+01 -0.212470D+01 -0.397194D+01
      2  -0.344485D+01 -0.170083D+01 -0.850460D+00 -0.397194D+01  0.363786D+00
      3   0.245062D+01 -0.850460D+00  0.376743D+00 -0.792905D+00 -0.150637D+01
                66            67            68            69            70 
      1  -0.792905D+00 -0.429244D+01 -0.699087D+00 -0.165741D+01 -0.545748D+00
      2  -0.150637D+01 -0.699087D+00  0.242982D+01 -0.178470D+01 -0.181266D+01
      3  -0.126731D+01 -0.165741D+01 -0.178470D+01  0.418219D+01 -0.203986D+01
                71            72            73            74            75 
      1  -0.181266D+01 -0.203986D+01  0.461770D+00  0.272242D+00 -0.820198D+00
      2  -0.190745D+01  0.424379D+01  0.272242D+00 -0.179001D+00 -0.187716D-01
      3   0.424379D+01  0.187357D+01 -0.820198D+00 -0.187716D-01 -0.439703D+00
                76            77            78            79            80 
      1  -0.745182D-01  0.232669D+00  0.373168D+00 -0.138425D+01  0.646222D-01
      2   0.232669D+00 -0.668959D+00 -0.789864D+00  0.646222D-01 -0.102748D+01
      3   0.373168D+00 -0.789864D+00 -0.197125D+01  0.113374D+01 -0.450182D+00
                81            82            83            84            85 
      1   0.113374D+01  0.864734D+01  0.341199D+01 -0.119692D+01  0.275368D+01
      2  -0.450182D+00  0.341199D+01  0.273645D+01 -0.715664D+00  0.180626D+01
      3  -0.797737D+01 -0.119692D+01 -0.715664D+00  0.111097D+01 -0.508441D+00
                86            87            88            89            90 
      1   0.180626D+01 -0.508441D+00  0.730459D+00  0.227579D+00  0.938832D+00
      2   0.194923D+01 -0.200939D+00  0.227579D+00  0.722646D+00  0.244127D+00
      3  -0.200939D+00  0.314207D+00  0.938832D+00  0.244127D+00 -0.553664D+00
                91            92            93            94            95 
      1   0.272153D+01 -0.192897D+01 -0.130014D+01 -0.323742D+01  0.322783D+01
      2  -0.192897D+01  0.188044D+01  0.320436D+01  0.322783D+01  0.300480D+01
      3  -0.130014D+01  0.320436D+01 -0.318550D+01  0.408555D+01  0.110301D+01
                96            97            98            99           100 
      1   0.408555D+01 -0.258349D+00  0.336538D+01 -0.340868D+01  0.235004D+01
      2   0.110301D+01  0.336538D+01  0.213644D+01 -0.614357D-01 -0.163474D+01
      3  -0.105473D+01 -0.340868D+01 -0.614357D-01 -0.142584D+01 -0.494415D+00
               101           102           103           104           105 
      1  -0.163474D+01 -0.494415D+00 -0.153416D+01  0.422601D+01  0.319519D+01
      2   0.301187D+01  0.258154D+01  0.422601D+01  0.128025D+01  0.190826D+01
      3   0.258154D+01 -0.361272D+01  0.319519D+01  0.190826D+01 -0.362918D+00
               106           107           108           109           110 
      1  -0.163980D+01  0.352549D+01 -0.338512D+01 -0.532494D+00 -0.315320D+01
      2   0.352549D+01  0.124564D+01 -0.411442D+00 -0.315320D+01 -0.157575D+01
      3  -0.338512D+01 -0.411442D+00  0.105300D+01  0.121443D+00 -0.415836D+01
               111           112           113           114           115 
      1   0.121443D+00 -0.322469D+01 -0.172088D+01 -0.407288D+01  0.657353D+00
      2  -0.415836D+01 -0.172088D+01  0.403676D+00 -0.213230D+01 -0.386287D+01
      3  -0.400837D+00 -0.407288D+01 -0.213230D+01  0.316957D+01 -0.972020D+00
               116           117           118           119           120 
      1  -0.386287D+01 -0.972020D+00 -0.400201D+01  0.200850D+01  0.220476D+01
      2  -0.989032D+00  0.361857D+01  0.200850D+01 -0.247137D+01 -0.165132D+01
      3   0.361857D+01 -0.100324D+01  0.220476D+01 -0.165132D+01 -0.190152D+01
               121           122           123           124           125 
      1   0.169405D+01 -0.225268D+01 -0.161010D+01  0.199633D+01 -0.174830D+01
      2  -0.225268D+01  0.381883D+01  0.189449D+01 -0.174830D+01  0.205176D+01
      3  -0.161010D+01  0.189449D+01  0.194310D+01 -0.200962D+01  0.230668D+01
               126           127           128           129           130 
      1  -0.200962D+01  0.144110D+01  0.176421D+01  0.961435D-01  0.152115D+01
      2   0.230668D+01  0.176421D+01  0.302813D+01  0.614693D+00  0.211341D+01
      3   0.337638D+01  0.961435D-01  0.614693D+00  0.259738D+00  0.391882D+00
               131           132           133           134           135 
      1   0.211341D+01  0.391882D+00  0.574197D+00  0.981650D+00  0.183506D+00
      2   0.921053D+01  0.118170D+01  0.981650D+00  0.298639D+01  0.147449D+01
      3   0.118170D+01  0.103293D+01  0.183506D+00  0.147449D+01  0.877853D+00
               136           137           138           139           140 
      1  -0.318698D+01  0.953883D+00 -0.179116D+01  0.281427D+00 -0.124371D+01
      2   0.953883D+00 -0.206115D+01  0.149919D+01 -0.124371D+01  0.241238D+01
      3  -0.179116D+01  0.149919D+01 -0.201022D+01  0.812222D+00 -0.134474D+01
               141           142           143           144           145 
      1   0.812222D+00 -0.219169D+01  0.120059D+01 -0.190900D+01  0.895894D-01
      2  -0.134474D+01  0.120059D+01 -0.231417D+01  0.218055D+01 -0.289406D+00
      3   0.127718D+01 -0.190900D+01  0.218055D+01 -0.371815D+01  0.590940D+00
               146           147           148           149           150 
      1  -0.289406D+00  0.590940D+00 -0.118116D+01  0.146751D+01 -0.439009D+00
      2  -0.354893D+00  0.226665D+00  0.146751D+01 -0.544296D+01  0.271497D+01
      3   0.226665D+00 -0.155105D+00 -0.439009D+00  0.271497D+01 -0.270027D+01
               151           152           153           154           155 
      1   0.158261D+01 -0.822492D+00  0.984909D+00  0.825626D+01  0.156128D+01
      2  -0.822492D+00  0.333734D+01 -0.286829D+01  0.156128D+01  0.127331D+01
      3   0.984909D+00 -0.286829D+01  0.289031D+01  0.147692D+01  0.372440D+00
               156           157           158           159           160 
      1   0.147692D+01  0.444039D+01  0.140324D+01  0.824762D+00  0.196013D+01
      2   0.372440D+00  0.140324D+01  0.143207D+01  0.509495D+00  0.441785D+00
      3   0.127750D+01  0.824762D+00  0.509495D+00  0.507405D+00  0.160406D+01
               161           162           163           164           165 
      1   0.441785D+00  0.160406D+01  0.165141D+01 -0.558778D+00 -0.113461D+01
      2   0.627074D+00 -0.140950D+00 -0.558778D+00  0.676374D+00  0.793314D+00
      3  -0.140950D+00  0.669512D+00 -0.113461D+01  0.793314D+00  0.107895D+01
               166           167           168           169           170 
      1  -0.110427D+01  0.145951D+01  0.103419D+01 -0.313881D+01  0.187098D+01
      2   0.145951D+01 -0.255863D+01 -0.135408D+01  0.187098D+01 -0.233755D+01
      3   0.103419D+01 -0.135408D+01 -0.213459D+01  0.226794D+01 -0.250717D+01
               171           172           173           174           175 
      1   0.226794D+01  0.305489D+01  0.817136D+00  0.931136D+00  0.617641D+00
      2  -0.250717D+01  0.817136D+00  0.893721D+00 -0.960806D+00  0.186478D+00
      3  -0.480602D+01  0.931136D+00 -0.960806D+00  0.238354D+01 -0.580663D+00
               176           177           178           179           180 
      1   0.186478D+00 -0.580663D+00  0.164770D+01 -0.242161D+00  0.100141D+01
      2  -0.106286D+01  0.103692D+01 -0.242161D+00  0.120834D+01 -0.154786D+01
      3   0.103692D+01 -0.117288D+01  0.100141D+01 -0.154786D+01  0.614063D+01
               181           182           183           184           185 
      1  -0.232799D+01 -0.162359D+01 -0.938660D-02 -0.273020D+01 -0.328640D+01
      2  -0.162359D+01 -0.206008D+01 -0.373296D+00 -0.328640D+01 -0.627062D+01
      3  -0.938660D-02 -0.373296D+00 -0.126849D+00 -0.166557D+00 -0.137411D+00
               186           187           188           189           190 
      1  -0.166557D+00 -0.131910D+01 -0.119964D+01 -0.897407D-01 -0.737363D+01
      2  -0.137411D+00 -0.119964D+01 -0.164531D+01 -0.667554D+00  0.157753D+01
      3  -0.120639D+01 -0.897407D-01 -0.667554D+00 -0.576155D+00  0.260517D+01
               191           192           193           194           195 
      1   0.157753D+01  0.260517D+01  0.402622D+01 -0.194324D+01 -0.187160D+01
      2  -0.159023D+01 -0.679355D+00 -0.194324D+01  0.135069D+01  0.619956D+00
      3  -0.679355D+00 -0.175683D+01 -0.187160D+01  0.619956D+00  0.164531D+01
               196           197           198           199           200 
      1   0.161727D+01 -0.739762D+00 -0.134336D+01  0.178481D+01  0.965250D+00
      2  -0.739762D+00  0.214905D+00  0.490297D+00  0.965250D+00  0.574318D+00
      3  -0.134336D+01  0.490297D+00  0.164608D+01 -0.658201D+00 -0.810140D+00
               201           202           203           204           205 
      1  -0.658201D+00  0.139455D+01  0.204865D+00 -0.349568D+00 -0.119462D+01
      2  -0.810140D+00  0.204865D+00  0.126793D+01 -0.139055D+01 -0.663795D+00
      3   0.233019D+01 -0.349568D+00 -0.139055D+01  0.169983D+01  0.740377D+00
               206           207           208           209           210 
      1  -0.663795D+00  0.740377D+00 -0.662463D+01  0.284165D+01 -0.287339D+00
      2  -0.154392D+01  0.165718D+01  0.284165D+01 -0.248155D+01 -0.940216D-01
      3   0.165718D+01 -0.556198D+01 -0.287339D+00 -0.940216D-01 -0.806807D+00
               211           212           213           214           215 
      1   0.405187D+01 -0.311413D+01  0.255409D-01  0.185595D+01 -0.948207D+00
      2  -0.311413D+01  0.289910D+01 -0.346541D+00 -0.948207D+00  0.578218D+00
      3   0.255409D-01 -0.346541D+00  0.945871D+00 -0.453715D+00  0.511330D+00
               216           217           218           219           220 
      1  -0.453715D+00 -0.314222D+01 -0.153842D+01 -0.127055D+01 -0.338660D+01
      2   0.511330D+00 -0.153842D+01 -0.182815D+01 -0.104241D+01 -0.272080D+01
      3   0.366373D+00 -0.127055D+01 -0.104241D+01 -0.842991D+00 -0.203793D+01
               221           222           223           224           225 
      1  -0.272080D+01 -0.203793D+01 -0.109487D+01 -0.111971D+01 -0.992949D+00
      2  -0.381664D+01 -0.172391D+01 -0.111971D+01 -0.119927D+01 -0.115962D+01
      3  -0.172391D+01 -0.227058D+01 -0.992949D+00 -0.115962D+01 -0.185425D+01
               226           227           228           229           230 
      1  -0.243332D+01 -0.910909D+00  0.102053D+01 -0.124826D+01 -0.159893D+00
      2  -0.910909D+00 -0.358457D+00  0.666584D+00 -0.159893D+00 -0.229552D+01
      3   0.102053D+01  0.666584D+00 -0.610007D+00  0.472089D+00  0.233253D+01
               231           232           233           234           235 
      1   0.472089D+00  0.106988D+01  0.369003D+00 -0.148203D+00  0.434843D+01
      2   0.233253D+01  0.369003D+00  0.153799D+01 -0.221447D+01  0.241798D+01
      3  -0.352354D+01 -0.148203D+00 -0.221447D+01  0.622610D+01  0.236114D+01
               236           237           238           239           240 
      1   0.241798D+01  0.236114D+01  0.275538D+01  0.233487D+01  0.200622D+01
      2   0.210304D+01  0.184364D+01  0.233487D+01  0.344640D+01  0.215154D+01
      3   0.184364D+01  0.243585D+01  0.200622D+01  0.215154D+01  0.195623D+01
               241           242           243 
      1   0.129721D+01  0.116124D+01  0.180380D+01
      2   0.116124D+01  0.132188D+01  0.119936D+01
      3   0.180380D+01  0.119936D+01  0.286643D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.416588D+00  0.267437D+01  0.270655D+00  0.569676D+00  0.220237D+01
      2  -0.261551D+01  0.219742D+00  0.116436D+02  0.185374D+01  0.257158D+01
      3  -0.572501D+01 -0.640754D+01 -0.122039D+00  0.339438D+01  0.612016D+01
                 6             7             8             9            10 
      1  -0.469076D+01  0.158015D+01  0.186918D+01 -0.389429D+00  0.581054D+01
      2  -0.662932D+01 -0.537720D-01 -0.978308D+01 -0.417889D+01 -0.218467D+01
      3  -0.242606D+01 -0.383072D+01 -0.726836D+01  0.510448D+01  0.889777D+01
                11            12            13            14            15 
      1  -0.198829D+01 -0.196017D+01 -0.176313D+01  0.153177D+01 -0.137437D+01
      2  -0.101957D+01  0.313071D+01 -0.463502D+01 -0.205763D+01  0.640249D+01
      3  -0.561984D+01 -0.167099D+01 -0.299781D+01 -0.383091D+01  0.367027D+01
                16            17            18            19            20 
      1  -0.962265D+00  0.440003D+01 -0.853216D+01 -0.233344D-01 -0.128968D+01
      2  -0.405841D+01  0.832397D+01  0.107528D+02  0.221416D+01  0.378859D+01
      3  -0.701868D+00  0.851117D+01 -0.492505D+01  0.243043D+01  0.360450D+00
                21            22            23            24            25 
      1  -0.137962D+01  0.113864D+01 -0.723832D+01  0.586833D+01 -0.965178D+00
      2  -0.694323D+01  0.103011D+02 -0.119632D+01  0.262845D+01 -0.207644D+02
      3  -0.309691D+01  0.778044D+01 -0.363253D+01  0.742961D+00 -0.875919D+01
                26            27            28            29            30 
      1   0.965562D+01  0.892169D+01 -0.345181D+00  0.716588D+00 -0.222537D+00
      2   0.352335D+01  0.199655D+01 -0.132790D+01 -0.165392D+01  0.348472D+01
      3   0.446503D+00 -0.106849D+01 -0.118702D+00  0.636362D+00  0.214423D+01
                31            32            33            34            35 
      1  -0.409167D+00  0.401030D+01 -0.992257D+01 -0.126239D+00 -0.271739D+00
      2  -0.901345D+01  0.190403D+00  0.168451D+01  0.982760D+00 -0.779251D-01
      3   0.117607D+02  0.267586D+01  0.128591D+01  0.917158D+01  0.819509D+00
                36            37            38            39            40 
      1  -0.696211D+01  0.722768D+00 -0.227616D+01  0.293200D+01 -0.777502D+00
      2   0.494117D+00  0.118702D+01  0.362203D+01  0.759873D+00  0.658737D+01
      3   0.113878D+01 -0.122518D+01 -0.117974D+02 -0.489843D+01 -0.254154D+01
                41            42            43            44            45 
      1  -0.144021D+01 -0.609618D+01  0.190957D+01  0.304078D+01 -0.328936D+00
      2   0.398036D+01 -0.447052D+01 -0.852620D+01  0.552030D+00 -0.197015D+01
      3  -0.124717D+01 -0.448166D+01 -0.654348D+01 -0.164948D+01  0.683838D+00
                46            47            48            49            50 
      1   0.392917D+01 -0.508816D+01  0.566706D+01 -0.591036D+01  0.272100D+00
      2   0.219899D+01 -0.248928D+01  0.516760D+01 -0.461041D+01 -0.132788D+01
      3  -0.265657D+01 -0.171103D+01 -0.415462D+00  0.503792D+01  0.495381D+01
                51            52            53            54            55 
      1   0.174063D+00  0.603294D+01  0.758497D+01 -0.964769D+00 -0.505244D+01
      2  -0.362953D+01 -0.193498D+01 -0.477622D+01 -0.350816D+00 -0.104866D+01
      3   0.649808D+01  0.571651D+00  0.626400D+01 -0.209111D+01  0.498416D+00
                56            57            58            59            60 
      1   0.118466D+02 -0.487011D+01  0.107865D+02  0.542717D+01 -0.285873D+01
      2   0.753070D+00  0.301108D+01  0.105464D+01 -0.991454D+00 -0.174183D+01
      3  -0.689190D+00  0.347311D+01  0.694862D+01 -0.565577D+01 -0.898309D+01
                61            62            63            64            65 
      1  -0.661082D+01  0.496440D+01 -0.213922D+01 -0.804091D+00 -0.245887D+01
      2  -0.673250D+00 -0.234710D+01  0.242399D+01 -0.961829D+00 -0.394119D+01
      3   0.368957D+01 -0.108511D+02  0.808336D+01  0.152424D+02  0.189250D+01
                66            67            68            69            70 
      1  -0.183646D+01 -0.256243D+01 -0.212414D+01  0.437416D+01 -0.518479D+01
      2  -0.144488D+01 -0.540046D+01 -0.483784D+01  0.123212D+02 -0.948757D+01
      3   0.580232D+01  0.106916D+02 -0.776929D+01  0.766638D+01  0.606653D+01
                71            72            73            74            75 
      1   0.860226D+01  0.320259D+01  0.581802D+00  0.749689D+00  0.609186D+00
      2   0.130457D+02  0.558800D+01 -0.212042D+01 -0.878415D-01 -0.124411D+01
      3   0.718562D+01 -0.106104D+02 -0.768165D+00 -0.729946D-01 -0.618424D+00
                76            77            78            79            80 
      1  -0.106259D+00  0.276141D+01  0.184060D+01 -0.139872D+01  0.518765D+01
      2  -0.507680D+00 -0.151511D+01 -0.364667D+01 -0.287362D+01 -0.917686D+00
      3   0.500936D+00  0.187363D+01  0.116503D+01 -0.111621D+01  0.211148D+01
                81            82            83            84            85 
      1   0.955951D+01 -0.159998D+01 -0.212912D+01 -0.153908D+01 -0.130791D+01
      2  -0.135450D+02  0.549829D+01 -0.158450D+00  0.418624D+01  0.281192D+01
      3   0.198163D+01  0.338617D+01 -0.569638D+01  0.617671D+00  0.176177D+01
                86            87            88            89            90 
      1  -0.154559D+01 -0.137768D+01 -0.710637D+00 -0.237892D+00  0.458518D+00
      2   0.138761D+01  0.577427D+00  0.690690D+00 -0.740472D+00 -0.516643D+00
      3  -0.225857D+01 -0.556054D+00  0.158647D+00 -0.196340D+01  0.361708D+00
                91            92            93            94            95 
      1  -0.357439D+01  0.631172D+01  0.427330D+00  0.828734D+01  0.740010D+01
      2   0.112996D+00 -0.594863D+01  0.113909D+02 -0.878381D+01 -0.685970D+01
      3  -0.700613D+01  0.432396D+01  0.956485D+01  0.108827D+02  0.619159D+01
                96            97            98            99           100 
      1  -0.492056D+00  0.143143D+01  0.476540D+01 -0.378684D+01  0.109734D+01
      2  -0.127561D+01  0.796760D+01 -0.473349D+01  0.108629D+02  0.442657D+01
      3   0.923348D+00  0.103689D+02  0.181356D+01  0.288827D+01 -0.293311D+01
               101           102           103           104           105 
      1  -0.431218D+01 -0.413492D+01 -0.702706D+01 -0.230154D+01 -0.553626D+01
      2  -0.854836D+01  0.111016D+02 -0.902705D+01 -0.148910D+01  0.544117D+01
      3   0.608029D+01  0.716731D+01  0.138462D+02  0.385595D+01  0.690455D+01
               106           107           108           109           110 
      1  -0.502157D+01 -0.122073D+01  0.213964D+00 -0.668275D+01  0.250229D+00
      2   0.646807D+01  0.504449D+01 -0.814120D+01 -0.340161D+01  0.426953D-01
      3   0.104441D+02  0.425824D+01 -0.218444D+01  0.367209D+01 -0.419880D+01
               111           112           113           114           115 
      1  -0.807079D+01 -0.358814D+00 -0.654490D+00 -0.985157D+01 -0.663498D+01
      2  -0.891953D+00  0.140596D+01 -0.178232D+01  0.107640D+02 -0.510963D+01
      3   0.274144D+01  0.119820D+01 -0.359631D+01 -0.167651D+00  0.388183D+01
               116           117           118           119           120 
      1  -0.259238D+01  0.606717D+01 -0.152916D+01 -0.846526D+00  0.225909D+01
      2   0.106744D+02 -0.185859D+01  0.327570D+01 -0.833039D+00  0.121946D+01
      3  -0.698312D+00 -0.391907D+01 -0.579523D+01 -0.128083D+01  0.205379D+01
               121           122           123           124           125 
      1   0.472206D+00  0.140833D+01 -0.308933D+01  0.127068D+01  0.423435D+00
      2  -0.120138D+01  0.946339D+00 -0.102532D+01 -0.301293D+01  0.372890D+00
      3   0.317824D+01 -0.139431D-01 -0.124161D+01  0.313839D+01 -0.111572D-01
               126           127           128           129           130 
      1  -0.375008D+01 -0.771359D+00 -0.351478D+01 -0.173324D+01 -0.216733D+01
      2  -0.100967D+01  0.493683D+00  0.563829D+00  0.146533D+01  0.370672D+00
      3  -0.138008D+01  0.419807D+01  0.220966D+01  0.240140D+00  0.611721D+01
               131           132           133           134           135 
      1  -0.690566D+01 -0.630032D+01 -0.486702D+00 -0.372481D+01 -0.391029D+01
      2   0.107509D+01  0.113435D+01 -0.328256D+00  0.670121D+00 -0.130895D+00
      3   0.286078D+01  0.892633D+00  0.219806D+01  0.170457D+01 -0.141522D+00
               136           137           138           139           140 
      1   0.566817D+01 -0.135505D+01  0.599963D+01 -0.603509D+00  0.254633D+01
      2  -0.456193D+01 -0.681834D-01 -0.946478D+00 -0.602590D-01 -0.179916D+01
      3  -0.109923D+02  0.499998D+00 -0.484938D+01  0.156165D+01 -0.298452D+01
               141           142           143           144           145 
      1  -0.318134D+01  0.543212D+01 -0.174361D+01  0.969851D+01  0.710942D+00
      2  -0.696197D-02 -0.511006D+01  0.902403D+00 -0.163024D+01  0.177329D+01
      3   0.256733D+01 -0.775304D+01  0.310997D+01 -0.562480D+01  0.991237D+00
               146           147           148           149           150 
      1   0.861180D-02 -0.384899D+00 -0.311362D+00  0.164893D+01 -0.544582D+01
      2   0.237815D+00 -0.229523D-01  0.123584D+00  0.721721D+01 -0.802388D+01
      3   0.362770D+00 -0.137432D+01 -0.617329D-01  0.140880D+02 -0.760824D+01
               151           152           153           154           155 
      1   0.769711D+00 -0.152351D+01  0.436422D+01  0.198724D+01  0.136623D+01
      2   0.407908D-01 -0.764969D+01  0.798420D+01  0.228265D+01  0.903052D+00
      3  -0.115607D+01 -0.916426D+01  0.739966D+01 -0.125094D+02 -0.853681D+01
               156           157           158           159           160 
      1   0.982167D+00  0.115044D+01  0.129387D+01 -0.418398D+00  0.164622D+01
      2   0.585209D+01  0.156370D+01  0.116078D+01  0.238064D+01  0.265521D+01
      3  -0.289338D+01 -0.663969D+01 -0.717155D+01 -0.228089D+01 -0.346969D+01
               161           162           163           164           165 
      1   0.944211D+00  0.431850D+00 -0.171952D+01  0.101103D+01  0.197170D+01
      2  -0.520797D+00  0.204160D+01 -0.345887D+01  0.269034D+01  0.418243D+01
      3  -0.311823D+01 -0.104245D+01  0.209495D+00 -0.196450D+01 -0.792460D+00
               166           167           168           169           170 
      1   0.166445D+01 -0.137434D+01 -0.468104D+01  0.313747D+01 -0.161876D+01
      2   0.242644D+01 -0.401015D+01 -0.709099D+01  0.393448D+01 -0.722150D+01
      3  -0.968573D+00  0.600258D+01  0.279245D+01 -0.385063D+00  0.575664D+01
               171           172           173           174           175 
      1  -0.789480D+01  0.479370D+01  0.212248D+01  0.160910D+01  0.426610D+00
      2  -0.147931D+02 -0.140221D+02 -0.112891D+01 -0.659794D+01 -0.358631D+00
      3   0.520857D+01 -0.453598D+01 -0.762254D-01 -0.335809D+01  0.561839D+00
               176           177           178           179           180 
      1  -0.681105D+00 -0.773985D+00  0.133992D+01  0.250392D+01  0.471475D+01
      2  -0.311674D+01  0.337459D+01 -0.924265D+01  0.350713D+01 -0.160006D+02
      3  -0.244887D+01  0.271319D+01 -0.363975D+01  0.255064D+01 -0.526350D+01
               181           182           183           184           185 
      1  -0.259193D+01 -0.331885D+01 -0.122054D+01 -0.454529D+01 -0.891410D+01
      2   0.278294D+01  0.282644D+01  0.120407D+01  0.355873D+01  0.472585D+01
      3  -0.138689D+01 -0.464031D+01 -0.745797D+00 -0.270836D+01 -0.134872D+02
               186           187           188           189           190 
      1  -0.458893D+01 -0.985719D+00 -0.215790D+01 -0.271356D+01  0.396129D+01
      2   0.462065D+01  0.466810D-01  0.275793D+01  0.206740D+01  0.247641D+01
      3  -0.548237D+00 -0.663205D+00 -0.355322D+01 -0.203028D+01  0.783752D+01
               191           192           193           194           195 
      1  -0.392469D+01 -0.158758D+01 -0.340948D+01  0.282679D+01  0.321451D+00
      2  -0.541836D+00  0.372548D+01  0.234328D-01  0.654656D+00 -0.363523D+01
      3  -0.766947D+01 -0.326209D+01 -0.486546D+01  0.556108D+01  0.169404D+01
               196           197           198           199           200 
      1  -0.221019D+01  0.166279D+01  0.191177D+01 -0.247443D+01 -0.228515D+01
      2  -0.616149D+00 -0.621852D-01 -0.290866D+01  0.759828D+01  0.427651D+01
      3  -0.317716D+01  0.197835D+01  0.203983D+01  0.419553D+01  0.177211D+01
               201           202           203           204           205 
      1   0.576542D+00 -0.157128D+01 -0.280198D+01  0.667733D+00  0.134753D+01
      2  -0.606249D+01  0.495951D+01  0.468623D+01 -0.513251D+01 -0.735642D+01
      3  -0.228152D+01  0.330123D+01  0.396277D+01 -0.362384D+01 -0.302290D+01
               206           207           208           209           210 
      1   0.440662D+01 -0.686200D+00 -0.325230D+01  0.326970D+01  0.181905D+01
      2  -0.580414D+01  0.146182D+02 -0.526635D+01  0.337041D+01  0.419633D+01
      3  -0.388959D+01  0.458486D+01  0.443468D+01 -0.762972D+01 -0.441497D+00
               211           212           213           214           215 
      1   0.356490D+01 -0.328535D+01 -0.172980D+01  0.977032D+00  0.111348D+00
      2   0.376176D+01 -0.180627D+01 -0.427724D+01  0.675902D+00 -0.152303D+01
      3  -0.473121D+01  0.781752D+01 -0.850700D+00 -0.186348D+01  0.184128D+01
               216           217           218           219           220 
      1  -0.129409D+01  0.276936D+01  0.336221D+01  0.113267D+01  0.372337D+01
      2  -0.202042D+01 -0.584456D+00  0.629753D+00  0.187124D+01  0.241055D+00
      3   0.112325D+01 -0.425729D+01 -0.616281D+01 -0.309370D+01 -0.467890D+01
               221           222           223           224           225 
      1   0.735488D+01  0.513794D+00  0.215885D+01  0.322205D+01  0.142968D+01
      2   0.143009D+01  0.464627D+01 -0.334614D+00  0.115134D+01  0.371242D+01
      3  -0.119481D+02 -0.433552D+01 -0.302795D+01 -0.405077D+01 -0.315500D+01
               226           227           228           229           230 
      1  -0.372354D+01 -0.268841D+01  0.194813D+01 -0.119264D+01 -0.684712D+01
      2   0.983885D+01  0.412514D+01 -0.183396D+01  0.639852D+01  0.334728D+01
      3   0.191878D+01  0.351715D+00 -0.203903D+00  0.275931D+01  0.273072D+01
               231           232           233           234           235 
      1   0.464029D+01  0.120661D+01  0.724288D+01 -0.679694D+01  0.252867D+01
      2  -0.533527D+01 -0.514619D+01 -0.346326D+01  0.614228D+01 -0.484656D+01
      3  -0.219068D+01 -0.874542D+00 -0.103909D+01  0.243588D+01  0.191330D+01
               236           237           238           239           240 
      1   0.378641D+01  0.735644D+00  0.248045D+01  0.508083D+01  0.468459D+00
      2  -0.128143D+01  0.193545D+01 -0.384398D+01 -0.583789D+00 -0.548518D-01
      3  -0.239816D+01 -0.363153D-01  0.197214D+01 -0.256643D+01 -0.462668D+00
               241           242           243 
      1   0.114172D+01  0.256602D+01 -0.474965D+00
      2  -0.189478D+01 -0.988526D+00  0.611197D+00
      3   0.295039D+00 -0.109451D+01  0.402022D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.138539D+02  0.754191D+01 -0.152817D+01  0.145982D+02  0.484233D+00
      2  -0.901386D+01 -0.415190D+01 -0.270235D+01 -0.898669D+01  0.509476D+01
      3  -0.484007D+01 -0.339001D+01  0.423052D+01 -0.561147D+01 -0.557899D+01
      4   0.135039D+02  0.244188D+01  0.162750D+01  0.923805D+00 -0.472814D+01
      5  -0.161145D+01  0.417312D+01  0.959796D+01  0.740042D+01  0.867627D+01
      6  -0.709056D+00  0.133613D+01  0.611392D+01  0.409700D+01  0.728860D+01
                 6             7             8             9            10 
      1   0.381827D+01  0.341088D+01  0.627139D+01  0.805530D+01 -0.189498D+02
      2   0.149854D+00 -0.187504D+01  0.311746D+00 -0.195974D+01  0.160011D+01
      3  -0.396813D+01 -0.153584D+01 -0.658314D+01 -0.609556D+01  0.173496D+02
      4   0.514603D+01  0.496184D+01  0.750529D+01 -0.126423D+02 -0.248506D+02
      5  -0.654096D+01  0.665659D+01 -0.128232D+02 -0.149700D+01  0.775905D+01
      6  -0.231105D+01 -0.392561D+01 -0.353289D+01 -0.120234D+01  0.677035D+01
                11            12            13            14            15 
      1  -0.176683D+02  0.669654D+00 -0.182473D+02 -0.509268D+01  0.798833D+01
      2   0.138323D+02  0.304875D+01  0.114665D+02 -0.171086D+01  0.519211D+00
      3   0.383593D+01 -0.371841D+01  0.678082D+01  0.680354D+01 -0.850755D+01
      4  -0.120819D+02  0.267247D+01 -0.116483D+02  0.416743D+01 -0.472983D+01
      5   0.900647D+01  0.248880D+01  0.617064D+01 -0.718322D+01  0.793561D+01
      6   0.599557D+01 -0.110345D+01  0.420770D+00 -0.693241D+01  0.554444D+01
                16            17            18            19            20 
      1  -0.616956D+01  0.434481D+01  0.587748D+01 -0.197165D+02 -0.214671D+00
      2   0.341446D+01 -0.569695D-01  0.139039D+02  0.123953D+02 -0.265232D+01
      3   0.275510D+01 -0.428784D+01 -0.197814D+02  0.732120D+01  0.286699D+01
      4  -0.291128D+01 -0.604258D+01  0.841111D+01 -0.179989D+01 -0.418262D+01
      5   0.191188D+01  0.101823D+02  0.872719D+01  0.121231D+01 -0.119797D+01
      6   0.287096D+01  0.858029D+01 -0.106426D+01  0.114569D+01 -0.199182D+01
                21            22            23            24            25 
      1  -0.882571D+00 -0.266061D+01  0.180619D+02  0.682668D+01 -0.317902D+01
      2   0.863199D+00  0.250595D+00 -0.260647D+02 -0.163034D+01  0.324606D+01
      3   0.193726D-01  0.241001D+01  0.800284D+01 -0.519635D+01 -0.670413D-01
      4   0.354692D+00 -0.698495D+01  0.296970D+01  0.292780D-01 -0.623340D+01
      5  -0.781444D+01 -0.886387D+01 -0.376925D+01  0.296519D+01 -0.101663D+01
      6  -0.999738D+00 -0.157421D+00 -0.186215D+02 -0.113623D+02 -0.395240D+00
                26            27            28            29            30 
      1   0.838172D+01  0.256452D+01  0.187260D+01 -0.120052D+01 -0.103095D+01
      2  -0.145608D+02 -0.617505D+01  0.255740D+01  0.195468D+01  0.233197D+00
      3   0.617913D+01  0.361053D+01 -0.443001D+01 -0.754169D+00  0.797756D+00
      4  -0.658228D+00  0.234654D+01  0.131872D+01  0.128898D+02  0.348434D+01
      5   0.139660D+01 -0.931249D-01 -0.706332D-01  0.308693D+01  0.746736D+01
      6  -0.300934D+01 -0.112527D+02  0.449287D+01  0.724523D+00  0.148922D+01
                31            32            33            34            35 
      1   0.118577D+01 -0.421923D+02 -0.150173D+02  0.352623D+00 -0.170422D+02
      2  -0.178685D+00  0.628880D+02  0.119573D+02 -0.749453D+00  0.133664D+02
      3  -0.100708D+01 -0.206957D+02  0.306002D+01  0.396830D+00  0.367583D+01
      4   0.149007D+02  0.280837D+00 -0.676417D+00  0.520453D+01 -0.757692D+00
      5   0.470982D+01  0.177126D+01  0.115099D+01  0.803774D+01  0.219055D+01
      6  -0.207408D+00  0.296593D+02  0.234299D+02  0.102188D+01  0.251393D+02
                36            37            38            39            40 
      1  -0.179590D+02  0.123279D+02  0.240885D+01  0.614846D+00 -0.550222D+01
      2   0.790846D+01 -0.348714D+01 -0.204176D+01  0.154976D+01  0.618335D+01
      3   0.100506D+02 -0.884081D+01 -0.367092D+00 -0.216461D+01 -0.681139D+00
      4  -0.275305D+00 -0.411838D+01  0.835212D+01  0.116277D+02  0.546222D+01
      5   0.232317D+01 -0.517642D+01  0.100681D+02 -0.909144D+01  0.154957D+02
      6   0.232636D+02  0.546140D+01 -0.863351D+00 -0.779280D+01  0.132788D+01
                41            42            43            44            45 
      1   0.847815D+01  0.111718D+02 -0.155734D+01  0.122440D+02 -0.135082D+02
      2  -0.437045D+01 -0.109859D+02  0.254993D+00 -0.915038D+01  0.966587D+01
      3  -0.410770D+01 -0.185975D+00  0.130235D+01 -0.309363D+01  0.384230D+01
      4  -0.200493D+01  0.455421D+01  0.154768D+02  0.103873D+01 -0.421494D+01
      5   0.444330D+01 -0.977800D+01 -0.172713D+02 -0.226882D+01 -0.178781D+01
      6   0.588472D+00 -0.197189D+01 -0.446658D+01 -0.224767D+01  0.658883D+01
                46            47            48            49            50 
      1  -0.686890D+00 -0.571059D+01 -0.896671D+01 -0.864181D+01 -0.487574D+01
      2   0.478448D+01  0.203617D+01  0.125872D+02  0.343961D+01  0.458597D+01
      3  -0.409759D+01  0.367442D+01 -0.362049D+01  0.520220D+01  0.289777D+00
      4   0.600190D+01 -0.567145D+01 -0.697498D+01 -0.643809D+01  0.544724D+01
      5   0.248544D+01 -0.219392D+01 -0.787027D+01 -0.300834D+01  0.451662D+01
      6  -0.399147D+01  0.160965D+02  0.594173D+01  0.127861D+02 -0.237123D+01
                51            52            53            54            55 
      1  -0.200624D+01 -0.851146D+01 -0.457960D+01  0.449204D+01 -0.128170D+01
      2   0.416138D+01  0.113414D+02  0.725912D+01 -0.553259D+01  0.232421D+01
      3  -0.215514D+01 -0.282996D+01 -0.267952D+01  0.104054D+01 -0.104251D+01
      4   0.874363D+01 -0.113217D+02  0.101494D+02  0.444451D+01 -0.143841D+00
      5   0.505526D+01 -0.399532D+01  0.574719D+01  0.192119D+01 -0.155011D+01
      6  -0.641442D+01  0.694278D+01 -0.768738D+01 -0.408991D+01  0.345789D+01
                56            57            58            59            60 
      1   0.817774D+01  0.106026D+02  0.109855D+02  0.107004D+02  0.254283D+01
      2  -0.175894D+02 -0.155932D+02 -0.159251D+02 -0.226557D+02 -0.884120D+01
      3   0.941166D+01  0.499057D+01  0.493962D+01  0.119553D+02  0.629836D+01
      4  -0.542730D+01  0.313208D+01 -0.189030D+01 -0.115779D+02 -0.972832D+01
      5  -0.171293D+01 -0.334980D+01 -0.289354D+01 -0.375174D+01  0.216746D+01
      6  -0.163447D+02  0.995530D+01 -0.114010D+02 -0.840417D+01 -0.411959D+00
                61            62            63            64            65 
      1   0.112475D+02  0.552989D+01  0.186721D+01 -0.221486D+02 -0.235131D+02
      2  -0.152595D+02 -0.138283D+02 -0.229149D+01  0.191499D+02  0.129428D+02
      3   0.401201D+01  0.829846D+01  0.424275D+00  0.299876D+01  0.105703D+02
      4   0.528534D+01 -0.133095D+02  0.591985D+01 -0.236711D+02  0.435271D+01
      5  -0.369109D+01  0.192101D+01 -0.394441D+01 -0.705741D+01 -0.108826D+02
      6   0.994260D+01 -0.543017D+01  0.445457D+01 -0.320696D+01  0.402644D+01
                66            67            68            69            70 
      1  -0.890077D+01 -0.311648D+02  0.528199D+01 -0.158369D+02 -0.886712D+01
      2   0.747568D+01  0.171605D+02 -0.539757D+01  0.117982D+02  0.614791D+01
      3   0.142509D+01  0.140043D+02  0.115581D+00  0.403869D+01  0.271921D+01
      4  -0.816201D+01 -0.304707D+00  0.924132D+01 -0.521377D+01 -0.995315D+01
      5  -0.786970D+01 -0.139909D+02 -0.811160D+01  0.215008D+02 -0.127303D+02
      6   0.175950D+01  0.197211D+01  0.732930D+01 -0.149223D+02  0.790678D+01
                71            72            73            74            75 
      1  -0.153846D+02  0.391410D+00  0.189139D+01  0.223435D+01 -0.338225D+01
      2   0.118558D+02 -0.691757D+01 -0.348036D+01 -0.209936D+01  0.597639D+00
      3   0.352878D+01  0.652616D+01  0.158897D+01 -0.134982D+00  0.278461D+01
      4  -0.447198D+01  0.219256D+02  0.238677D+01  0.154156D+01 -0.832214D+00
      5   0.221586D+02  0.116540D+02 -0.301333D+01 -0.349859D+00  0.434145D+01
      6  -0.161445D+02 -0.323449D+01 -0.109421D+01  0.303224D+00 -0.110192D+01
                76            77            78            79            80 
      1   0.729172D+00 -0.179372D+01 -0.179290D+01 -0.195001D+01  0.428989D+00
      2   0.684904D+00 -0.115748D+01 -0.601472D+01  0.536806D+01 -0.418944D+01
      3  -0.141408D+01  0.295121D+01  0.780762D+01 -0.341805D+01  0.376045D+01
      4   0.245869D+01 -0.202104D+01 -0.190884D+01 -0.182683D+01 -0.265246D+01
      5   0.184695D+01 -0.183039D+01 -0.597222D+01  0.901472D+01 -0.151293D+01
      6  -0.726052D+00  0.175927D+01  0.367248D+01  0.116285D+01  0.496266D+01
                81            82            83            84            85 
      1  -0.161264D+02  0.413249D+02  0.112587D+02 -0.342946D+01  0.946059D+01
      2  -0.228564D+02 -0.167361D+02 -0.131683D+01  0.310293D+01 -0.199835D+00
      3   0.389828D+02 -0.245888D+02 -0.994187D+01  0.326534D+00 -0.926075D+01
      4   0.155944D+00  0.336638D+02  0.204113D+02 -0.557724D+01  0.182131D+02
      5  -0.216843D+02 -0.165593D+02 -0.778259D+01  0.927973D+01 -0.556164D+01
      6  -0.901381D+01 -0.807400D+01 -0.613739D+01  0.471039D+01 -0.412256D+01
                86            87            88            89            90 
      1   0.447611D+01 -0.145208D+01  0.415948D+01  0.104767D+00  0.221438D+01
      2   0.387246D+01  0.338518D+00 -0.229675D+00  0.828585D+00 -0.380328D+01
      3  -0.834857D+01  0.111357D+01 -0.392980D+01 -0.933352D+00  0.158890D+01
      4   0.140451D+02 -0.240018D+01  0.173968D+01  0.241910D+01  0.320001D+01
      5  -0.285210D+01  0.258315D+01  0.610521D+01  0.159516D+01 -0.291708D+01
      6  -0.383339D+01  0.302005D+01  0.286105D+01  0.154391D+01 -0.804406D+00
                91            92            93            94            95 
      1  -0.171791D+02  0.869991D+01  0.166310D+02  0.155522D+02 -0.118287D+02
      2   0.114369D+02 -0.156354D+02 -0.572601D+01 -0.242914D+02 -0.442573D+01
      3   0.574217D+01  0.693548D+01 -0.109050D+02  0.873919D+01  0.162544D+02
      4   0.948569D+01 -0.909962D+01 -0.127038D+02 -0.123798D+02 -0.164481D+02
      5   0.137669D+02 -0.181180D+02  0.563847D+01 -0.256304D+02 -0.221863D+01
      6  -0.769917D+01  0.142632D+00  0.132559D+02 -0.106071D+01  0.251041D+00
                96            97            98            99           100 
      1  -0.174826D+02  0.142249D+02 -0.145386D+02  0.188330D+02 -0.141173D+02
      2   0.831426D+01 -0.477683D+01  0.331692D+01 -0.502260D+01 -0.948785D-01
      3   0.916839D+01 -0.944803D+01  0.112217D+02 -0.138104D+02  0.142122D+02
      4  -0.909387D+01 -0.167611D+02 -0.110134D+02  0.732074D+01  0.119637D+02
      5   0.127436D+02  0.994633D+01  0.652665D+01 -0.172209D+01  0.832399D+00
      6   0.384369D+01  0.131081D+02  0.243392D+01  0.151532D+01 -0.672724D+00
               101           102           103           104           105 
      1   0.128385D+02 -0.317960D+01  0.154985D+02 -0.180815D+02 -0.159374D+02
      2   0.232275D+01 -0.544698D+01  0.204327D-01  0.110270D+02  0.591878D+01
      3  -0.151612D+02  0.862658D+01 -0.155189D+02  0.705444D+01  0.100187D+02
      4  -0.202082D+02 -0.119924D+02 -0.260310D+02 -0.324637D+01 -0.838830D+01
      5  -0.959876D+01  0.135367D+02 -0.125215D+02 -0.133230D+02 -0.445629D+01
      6  -0.652156D+01 -0.657925D+01 -0.101423D+02 -0.454817D+01 -0.576676D+01
               106           107           108           109           110 
      1   0.167366D+01 -0.184490D+02  0.191844D+02 -0.213115D+00  0.284358D+01
      2  -0.720855D+01  0.780617D+01 -0.770804D+01 -0.451591D+01  0.540470D+01
      3   0.553489D+01  0.106428D+02 -0.114763D+02  0.472902D+01 -0.824828D+01
      4  -0.173078D+02 -0.350257D+01 -0.275683D+01 -0.754277D+01 -0.566258D+01
      5   0.169405D+02 -0.591748D+01  0.457074D+01 -0.337810D+01 -0.136887D+02
      6  -0.940973D+01 -0.319480D+01  0.622949D+00 -0.799777D+01 -0.109206D+02
               111           112           113           114           115 
      1   0.463583D+01  0.773282D+00  0.743556D-01 -0.100649D+02  0.542411D+01
      2  -0.570848D+01  0.589641D+01  0.255454D+01 -0.577800D+01 -0.631159D+01
      3   0.107265D+01 -0.666969D+01 -0.262890D+01  0.158429D+02  0.887489D+00
      4  -0.857684D+01 -0.827120D+01 -0.285322D+01 -0.689694D+01 -0.751419D+01
      5  -0.218541D+01 -0.138491D+02 -0.848731D+01 -0.505934D+01 -0.455717D+01
      6  -0.116436D+02 -0.971965D+01 -0.485259D+01 -0.511661D+01 -0.803912D+01
               116           117           118           119           120 
      1  -0.101108D+02 -0.382356D+01  0.375877D+01  0.277738D+01  0.191078D+01
      2  -0.529511D+01  0.495802D+01 -0.159166D+01 -0.512234D+01 -0.836416D-01
      3   0.154059D+02 -0.113446D+01 -0.216710D+01  0.234495D+01 -0.182714D+01
      4  -0.543399D+01  0.338985D+01 -0.150809D+02  0.132322D+02  0.955605D+01
      5  -0.183370D+01 -0.180171D+01 -0.117632D+02  0.762250D+01  0.110631D+02
      6  -0.306942D+01  0.662478D+01  0.103311D+02 -0.995387D+01 -0.969528D+01
               121           122           123           124           125 
      1   0.399618D+01 -0.968711D+01 -0.584464D+01  0.246358D+01 -0.613384D+01
      2  -0.587280D+01  0.136497D+02  0.447844D+01 -0.633030D+00  0.338981D+01
      3   0.187663D+01 -0.396263D+01  0.136621D+01 -0.183055D+01  0.274403D+01
      4   0.111759D+02 -0.133944D+02 -0.804551D+01  0.861962D+01 -0.845453D+01
      5   0.612861D+01 -0.721166D+01 -0.601807D+01  0.982222D+01 -0.708739D+01
      6  -0.937785D+01  0.146940D+02  0.129518D+02 -0.967022D+01  0.138755D+02
               126           127           128           129           130 
      1  -0.835380D+01 -0.192877D+01 -0.779930D+01 -0.131066D+01 -0.532495D+01
      2  -0.897266D-01  0.832954D+01  0.187896D+02  0.331156D+01  0.126883D+02
      3   0.844352D+01 -0.640077D+01 -0.109903D+02 -0.200091D+01 -0.736339D+01
      4  -0.920237D+01  0.913275D+01  0.152674D+02  0.149020D+01  0.113894D+02
      5  -0.100731D+02  0.560734D+00  0.811252D+00  0.299701D+01  0.813444D-01
      6   0.157500D+02  0.999345D+00  0.290652D+01  0.188070D+01  0.235444D+01
               131           132           133           134           135 
      1  -0.326485D+02 -0.414576D+01 -0.242687D+01 -0.102824D+02 -0.557853D+01
      2   0.631178D+02  0.820304D+01  0.480496D+01  0.191350D+02  0.780703D+01
      3  -0.304693D+02 -0.405728D+01 -0.237809D+01 -0.885256D+01 -0.222850D+01
      4   0.185397D+02  0.324137D+01  0.337264D+01  0.637181D+01  0.269099D+01
      5   0.251886D+01  0.127551D+01  0.249618D+01  0.224253D+01  0.161996D+01
      6   0.739206D+01  0.855576D+01  0.166665D+01  0.112869D+02  0.608198D+01
               136           137           138           139           140 
      1   0.970598D+00  0.720724D+01 -0.483997D+01  0.366290D+01 -0.853300D+01
      2  -0.108952D-01 -0.957650D+01  0.476982D+01 -0.501265D+01  0.130701D+02
      3  -0.959702D+00  0.236926D+01  0.701492D-01  0.134975D+01 -0.453713D+01
      4  -0.110283D+02  0.821205D+01 -0.710373D+01  0.587458D+01 -0.496034D+01
      5   0.767698D+01 -0.270984D+01  0.589997D+01 -0.116703D+01  0.412834D+01
      6  -0.834881D+01  0.101221D+02 -0.106582D+02  0.691159D+01 -0.913356D+01
               141           142           143           144           145 
      1   0.558018D+01 -0.444314D+01  0.999545D+01 -0.105497D+02  0.183456D+01
      2  -0.543687D+01  0.290493D+01 -0.934474D+01  0.353869D+01 -0.583817D+00
      3  -0.143305D+00  0.153822D+01 -0.650704D+00  0.701101D+01 -0.125074D+01
      4   0.498013D+01 -0.800753D+01  0.630707D+01 -0.708872D+01 -0.517891D+00
      5  -0.239764D+01  0.749343D+01 -0.313905D+01  0.560235D+01  0.263946D+01
      6   0.988649D+01 -0.970831D+01  0.155295D+02 -0.201717D+02 -0.217689D+01
               146           147           148           149           150 
      1  -0.258513D+01  0.464930D+01 -0.318201D+01 -0.108561D+02  0.803093D+01
      2   0.164704D+01 -0.235519D+01 -0.121561D+01  0.201147D+02 -0.858026D+01
      3   0.938091D+00 -0.229410D+01  0.439762D+01 -0.925863D+01  0.549334D+00
      4   0.301003D+01 -0.164154D+01  0.118442D+02 -0.260354D+02  0.123067D+02
      5  -0.601914D+00  0.200726D+01 -0.367857D+01  0.135376D+02 -0.146043D+02
      6  -0.127534D+01  0.897046D+00  0.290637D+01 -0.160011D+02  0.142706D+02
               151           152           153           154           155 
      1   0.692844D+01  0.817192D+01 -0.727082D+01  0.635031D+02  0.120765D+02
      2  -0.292456D+01 -0.951742D+01  0.357311D+01 -0.371602D+02 -0.841268D+01
      3  -0.400388D+01  0.134550D+01  0.369771D+01 -0.263429D+02 -0.366381D+01
      4  -0.717055D+01  0.157776D+02 -0.131230D+02  0.365096D+01  0.943425D+01
      5   0.819278D+01 -0.147423D+02  0.143657D+02  0.148181D+02  0.323136D+01
      6  -0.397747D+01  0.153056D+02 -0.138878D+02 -0.886827D+00  0.392236D+00
               156           157           158           159           160 
      1   0.101993D+02  0.303627D+02  0.903348D+01  0.540182D+01  0.139611D+02
      2  -0.746488D+01 -0.180793D+02 -0.518219D+01 -0.464844D+01 -0.979094D+01
      3  -0.273440D+01 -0.122835D+02 -0.385129D+01 -0.753379D+00 -0.417013D+01
      4   0.126462D+01  0.902617D+01  0.992227D+01  0.280106D+01  0.137772D+01
      5   0.119870D+02  0.778846D+01  0.402785D+01  0.506009D+01  0.136708D+02
      6  -0.144102D+01  0.382886D+00  0.469033D+00  0.199191D+01 -0.134825D+01
               161           162           163           164           165 
      1   0.366682D+01  0.735447D+01  0.104433D+02 -0.199320D+01 -0.487027D+01
      2  -0.346279D+01 -0.556212D+01 -0.532981D+01 -0.698721D+00  0.154436D+01
      3  -0.204024D+00 -0.179235D+01 -0.511350D+01  0.269192D+01  0.332591D+01
      4   0.356967D+01 -0.837806D+00 -0.577498D+01  0.656520D+01  0.688120D+01
      5   0.453957D+00  0.603918D+01 -0.683466D+01  0.580529D+01  0.944979D+01
      6   0.323066D+01  0.697725D-01  0.408621D+01 -0.269223D+01 -0.341949D+01
               166           167           168           169           170 
      1  -0.284465D+01 -0.195106D+00  0.205545D+01 -0.129030D+02  0.342730D+01
      2  -0.164349D+01  0.622189D+01  0.146303D+01  0.584403D+01  0.176522D+01
      3   0.448814D+01 -0.602678D+01 -0.351848D+01  0.705901D+01 -0.519252D+01
      4   0.116369D+02 -0.153083D+02 -0.871853D+01  0.147328D+02 -0.148461D+02
      5   0.714898D+01 -0.773968D+01 -0.127444D+02  0.163647D+02 -0.145576D+02
      6  -0.406940D+01  0.621087D+01  0.103158D+02 -0.746237D+01  0.112352D+02
               171           172           173           174           175 
      1   0.167825D+01 -0.761236D+01  0.132916D+01 -0.110760D+02 -0.170903D+00
      2  -0.334257D+01  0.117567D+01  0.180594D+00 -0.291770D+00  0.171212D+01
      3   0.166431D+01  0.643670D+01 -0.150976D+01  0.113677D+02 -0.154122D+01
      4  -0.148551D+02 -0.457069D+01 -0.107942D+01  0.933837D+00  0.213717D+01
      5  -0.285614D+02  0.587033D+01  0.451279D+01 -0.318803D+01  0.292738D+01
      6   0.155036D+02  0.501970D+00  0.480521D+01 -0.666861D+01  0.225495D+01
               176           177           178           179           180 
      1  -0.461450D+01  0.772127D+01 -0.104360D+02  0.757057D+01 -0.238793D+02
      2   0.240729D+01 -0.188172D+01  0.227881D+01 -0.129892D+01 -0.810579D+01
      3   0.220721D+01 -0.583954D+01  0.815715D+01 -0.627165D+01  0.319851D+02
      4   0.306999D+01 -0.181168D+01 -0.166174D+01 -0.288208D+01  0.239619D+01
      5  -0.165899D+01  0.176570D+01  0.406974D+01  0.399597D+01 -0.161861D+02
      6  -0.516633D+01  0.813079D+01 -0.276280D+01  0.910312D+01 -0.151355D+02
               181           182           183           184           185 
      1   0.115464D+02  0.576885D+01 -0.309075D+00  0.892408D+01  0.207863D+01
      2  -0.162377D+01  0.394245D+01  0.949698D+00  0.521066D+01  0.197215D+02
      3  -0.992260D+01 -0.971130D+01 -0.640624D+00 -0.141347D+02 -0.218001D+02
      4   0.122273D+02  0.156736D+02  0.224429D+01  0.224231D+02  0.342353D+02
      5  -0.284776D+01  0.223214D+00  0.303487D+01 -0.164991D+01 -0.176458D+01
      6  -0.107991D+01 -0.302555D+01  0.315281D-01 -0.443178D+01 -0.896407D+01
               186           187           188           189           190 
      1   0.287309D+01  0.451380D+01  0.335882D+01 -0.104539D+01  0.462013D+02
      2   0.188011D+01  0.150305D+00  0.375264D+01  0.176769D+01 -0.311025D+02
      3  -0.475320D+01 -0.466410D+01 -0.711146D+01 -0.722298D+00 -0.150989D+02
      4   0.131707D+01  0.807266D+01  0.902313D+01  0.322776D+01 -0.557573D+01
      5   0.596731D+01  0.162991D+01  0.284517D+01  0.360110D+01 -0.293001D+02
      6   0.479294D+01 -0.553491D-01  0.207742D+01  0.154620D+01  0.319485D+01
               191           192           193           194           195 
      1  -0.102795D+02 -0.128796D+02 -0.220005D+02  0.885031D+01  0.654743D+01
      2   0.873258D+01  0.124105D+02  0.166055D+02 -0.447210D+01 -0.767262D+01
      3   0.154697D+01  0.469108D+00  0.539504D+01 -0.437821D+01  0.112519D+01
      4   0.100227D+02  0.235361D+01  0.105910D+02 -0.806025D+01 -0.275685D+01
      5   0.699816D+01  0.174898D+02  0.169688D+02 -0.663119D+01 -0.123124D+02
      6  -0.456566D+01 -0.141021D+01 -0.437468D+01  0.495583D+01  0.242617D+01
               196           197           198           199           200 
      1  -0.891556D+01  0.285776D+01  0.417140D+01 -0.620442D+01 -0.558388D+01
      2   0.972272D+01 -0.283217D+01 -0.796672D+01  0.293779D+01  0.179027D+01
      3  -0.807154D+00 -0.255940D-01  0.379532D+01  0.326663D+01  0.379361D+01
      4   0.277978D+01 -0.132781D+01 -0.254188D+01 -0.125359D+00  0.148433D+01
      5   0.143198D+02 -0.461313D+01 -0.118083D+02 -0.298621D+01  0.565175D+00
      6  -0.222454D+01  0.246608D+01  0.479240D+00 -0.186921D+01 -0.216355D+01
               201           202           203           204           205 
      1   0.857781D+01 -0.705583D+01 -0.470656D+01  0.784944D+01  0.801245D+01
      2   0.218223D+01  0.378728D+01  0.165383D+01  0.383278D+00 -0.181743D+01
      3  -0.107600D+02  0.326855D+01  0.305273D+01 -0.823272D+01 -0.619502D+01
      4   0.198096D+01  0.442586D+01 -0.296205D+01  0.448925D+01  0.845599D+00
      5  -0.359428D+01 -0.161877D+01  0.388576D+01 -0.508938D+01  0.343372D+01
      6   0.284596D+01 -0.621686D+00 -0.511582D+01  0.760030D+01  0.254822D+01
               206           207           208           209           210 
      1   0.887173D+01 -0.205612D+02  0.417258D+02 -0.159876D+02  0.169629D+00
      2  -0.105610D+01 -0.877519D+01 -0.171561D+02  0.344327D+01 -0.155716D+01
      3  -0.781562D+01  0.293364D+02 -0.245698D+02  0.125443D+02  0.138753D+01
      4   0.455300D+01 -0.482381D+01 -0.240557D+02  0.192446D+02  0.111967D+00
      5  -0.402946D+01  0.153615D+02  0.957295D+01 -0.311617D+01  0.716450D+01
      6   0.787115D+01 -0.959129D+01 -0.517753D+01  0.513402D+01 -0.125717D+01
               211           212           213           214           215 
      1  -0.227397D+02  0.123666D+02  0.142486D+01 -0.103842D+02  0.487257D+01
      2   0.621275D+01  0.425680D+00  0.144099D+01  0.376947D+01 -0.211889D+00
      3   0.165269D+02 -0.127923D+02 -0.286585D+01  0.661478D+01 -0.466068D+01
      4   0.240901D+02 -0.205176D+02  0.158921D+01  0.635884D+01 -0.436050D+01
      5  -0.540106D+01  0.477948D+01 -0.587234D+01  0.373883D+01 -0.250729D+01
      6   0.592499D+01 -0.460763D+01  0.371559D+01 -0.440556D+00  0.176769D+01
               216           217           218           219           220 
      1   0.176944D+01  0.167788D+02  0.632564D+01  0.550109D+01  0.136283D+02
      2  -0.849579D+00 -0.949218D+01 -0.484289D+01 -0.482874D+01 -0.903233D+01
      3  -0.919858D+00 -0.728665D+01 -0.148275D+01 -0.672346D+00 -0.459598D+01
      4  -0.362101D+01  0.950372D+01  0.127551D+02  0.579320D+01  0.177778D+02
      5  -0.260523D+01  0.120541D+02  0.795153D+01  0.857305D+01  0.152832D+02
      6   0.197404D+00  0.473064D+01  0.544039D+01  0.406094D+01  0.844604D+01
               221           222           223           224           225 
      1   0.731122D+01  0.428555D+01  0.433424D+01  0.273990D+01 -0.192623D+00
      2  -0.244184D+01 -0.646177D+01 -0.510983D+01 -0.385553D+01 -0.506427D+01
      3  -0.486938D+01  0.217623D+01  0.775588D+00  0.111562D+01  0.525689D+01
      4   0.210644D+02  0.923682D+01  0.615881D+01  0.611961D+01  0.649161D+01
      5   0.117333D+02  0.145075D+02  0.919106D+01  0.805589D+01  0.108233D+02
      6   0.123808D+02  0.843108D+01  0.482268D+01  0.656144D+01  0.500088D+01
               226           227           228           229           230 
      1   0.193280D+01  0.515431D+00  0.197746D+01 -0.112719D+00 -0.432704D+01
      2  -0.345125D+01 -0.202234D+01  0.239316D+01 -0.547190D+00 -0.329327D+01
      3   0.151845D+01  0.150691D+01 -0.437062D+01  0.659909D+00  0.762032D+01
      4   0.220290D+01  0.266059D+01  0.257723D+00  0.340247D+01 -0.203338D+01
      5  -0.540704D+01 -0.244869D+01  0.497365D+01 -0.395094D+01  0.219222D+01
      6  -0.269681D+01 -0.591503D+00  0.967997D+00 -0.294889D+00 -0.831131D+01
               231           232           233           234           235 
      1   0.844176D+01  0.984122D+00  0.581761D+01 -0.163317D+02  0.821771D+01
      2   0.792405D+01  0.718792D+00  0.552519D+01 -0.174391D+02 -0.593370D+01
      3  -0.163658D+02 -0.170291D+01 -0.113428D+02  0.337708D+02 -0.228400D+01
      4   0.298018D+01 -0.121305D-01  0.172267D+01 -0.200339D+01  0.139781D+02
      5  -0.394248D+01  0.601236D+01 -0.107851D+01  0.604783D+01  0.178241D+02
      6   0.100110D+02  0.165541D+01  0.836101D+01 -0.717680D+01  0.105090D+02
               236           237           238           239           240 
      1   0.750721D+00 -0.197222D+00  0.181346D+00 -0.517087D+01 -0.344617D+01
      2  -0.966167D+00 -0.493932D+01 -0.115193D+00  0.557853D+01 -0.641931D-01
      3   0.215447D+00  0.513654D+01 -0.661535D-01 -0.407663D+00  0.351037D+01
      4   0.119708D+02  0.849917D+01  0.123043D+02  0.133320D+02  0.847104D+01
      5   0.110469D+02  0.150429D+02  0.118353D+02  0.103224D+02  0.101096D+02
      6   0.962162D+01  0.986055D+01  0.104393D+02  0.145855D+02  0.127564D+02
               241           242           243 
      1  -0.162545D+01 -0.260215D+01 -0.465287D+01
      2  -0.295853D+01 -0.119110D+00 -0.504092D+01
      3   0.458398D+01  0.272126D+01  0.969380D+01
      4   0.569471D+01  0.515627D+01  0.606565D+01
      5   0.103223D+02  0.696333D+01  0.115414D+02
      6   0.754017D+01  0.909380D+01  0.962654D+01
 Leave Link  716 at Sat Jul 10 00:02:27 2021, MaxMem= 17179869184 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126109D+03  0.164011D+00 -0.482992D+00
      2   0.164011D+00  0.116109D+03  0.700813D+00
      3  -0.482992D+00  0.700813D+00  0.107070D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.171602D+01  0.829228D+01 -0.131755D+02
      2  -0.798541D+01 -0.107992D+00 -0.361011D+01
      3   0.172054D+02 -0.416451D+01 -0.230246D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.658751D+00 -0.202735D+02  0.117700D+00
      2   0.766646D+01  0.310109D+02 -0.246933D+02
      3  -0.700771D+01 -0.107373D+02  0.245756D+02
      4   0.879271D+01  0.101566D+02  0.262773D+01
      5   0.134587D+02  0.195673D+01 -0.128105D+02
      6   0.166340D+01 -0.926767D+01  0.162010D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.388115D+01  0.363978D+01  0.658997D+00  0.403495D+01 -0.838960D+00
      2   0.363978D+01 -0.660011D+00  0.114747D+01 -0.838960D+00 -0.427133D+01
      3   0.658997D+00  0.114747D+01  0.216173D+01  0.147142D+01  0.123969D+01
                 6             7             8             9            10 
      1   0.147142D+01  0.212448D+01  0.222503D+01  0.141740D+01 -0.418790D+01
      2   0.123969D+01  0.222503D+01  0.213890D+01 -0.380769D+01 -0.471423D+01
      3  -0.384487D+01  0.141740D+01 -0.380769D+01 -0.163045D+01 -0.262730D+00
                11            12            13            14            15 
      1  -0.471423D+01 -0.262730D+00 -0.398208D+01  0.462014D+00  0.392871D+00
      2  -0.331619D+00  0.564889D+00  0.462014D+00  0.236557D+01 -0.176038D+01
      3   0.564889D+00  0.810196D+00  0.392871D+00 -0.176038D+01  0.282361D+01
                16            17            18            19            20 
      1  -0.200022D+01 -0.685474D-01 -0.567054D+00 -0.733586D+00 -0.152798D+01
      2  -0.685474D-01 -0.332583D+01  0.272904D+01 -0.152798D+01  0.224693D+01
      3  -0.567054D+00  0.272904D+01  0.414567D+01 -0.862104D+00  0.479191D+00
                21            22            23            24            25 
      1  -0.862104D+00 -0.543315D+01  0.198827D+01  0.342874D+00 -0.284920D+01
      2   0.479191D+00  0.198827D+01  0.475481D+01  0.219351D+01  0.548275D+00
      3  -0.514049D+00  0.342874D+00  0.219351D+01  0.653560D+00 -0.922466D+00
                26            27            28            29            30 
      1   0.548275D+00 -0.922466D+00 -0.252364D+00 -0.222485D+01 -0.104238D+01
      2   0.247966D+01  0.180881D+01 -0.222485D+01 -0.384478D+00 -0.132569D+00
      3   0.180881D+01  0.909943D+00 -0.104238D+01 -0.132569D+00 -0.139629D+00
                31            32            33            34            35 
      1  -0.368535D+00 -0.521776D+00 -0.888955D-01 -0.393475D+00 -0.288398D+00
      2  -0.521776D+00 -0.118904D+02 -0.371234D+01 -0.288398D+00 -0.365235D+01
      3  -0.888955D-01 -0.371234D+01 -0.227319D+01  0.122403D+00 -0.390635D+01
                36            37            38            39            40 
      1   0.122403D+00 -0.308291D+01  0.875089D+00  0.601054D+00  0.252763D+01
      2  -0.390635D+01  0.875089D+00 -0.229020D+01 -0.277159D+01 -0.362105D+01
      3  -0.382152D+01  0.601054D+00 -0.277159D+01  0.276223D+01 -0.415508D+01
                41            42            43            44            45 
      1  -0.362105D+01 -0.415508D+01  0.134294D+01 -0.375962D+01  0.357691D+01
      2  -0.139060D+01 -0.109881D+01 -0.375962D+01 -0.179841D+01  0.253769D+00
      3  -0.109881D+01  0.101488D+01  0.357691D+01  0.253769D+00 -0.276193D+00
                46            47            48            49            50 
      1   0.118900D+01  0.520523D+00 -0.189028D+01  0.440939D+00  0.314731D+01
      2   0.520523D+00  0.209992D+01  0.421099D+01  0.314731D+01  0.740452D+00
      3  -0.189028D+01  0.421099D+01 -0.629623D+00  0.491381D+01  0.556786D-01
                51            52            53            54            55 
      1   0.491381D+01 -0.147983D+01  0.473939D+01  0.158801D-01  0.127414D+00
      2   0.556786D-01  0.473939D+01  0.854425D+00 -0.212451D+01  0.449945D+00
      3  -0.104025D+01  0.158801D-01 -0.212451D+01 -0.213740D+00  0.114507D+01
                56            57            58            59            60 
      1   0.449945D+00  0.114507D+01  0.125761D+01 -0.213765D+01 -0.280367D+01
      2  -0.226135D+01 -0.329027D+01 -0.213765D+01 -0.309806D+01 -0.116519D+01
      3  -0.329027D+01  0.178879D+01 -0.280367D+01 -0.116519D+01  0.389600D+00
                61            62            63            64            65 
      1   0.103344D+01 -0.344485D+01  0.245062D+01 -0.212470D+01 -0.397194D+01
      2  -0.344485D+01 -0.170083D+01 -0.850460D+00 -0.397194D+01  0.363786D+00
      3   0.245062D+01 -0.850460D+00  0.376743D+00 -0.792905D+00 -0.150637D+01
                66            67            68            69            70 
      1  -0.792905D+00 -0.429244D+01 -0.699087D+00 -0.165741D+01 -0.545748D+00
      2  -0.150637D+01 -0.699087D+00  0.242982D+01 -0.178470D+01 -0.181266D+01
      3  -0.126731D+01 -0.165741D+01 -0.178470D+01  0.418219D+01 -0.203986D+01
                71            72            73            74            75 
      1  -0.181266D+01 -0.203986D+01  0.461770D+00  0.272242D+00 -0.820198D+00
      2  -0.190745D+01  0.424379D+01  0.272242D+00 -0.179001D+00 -0.187716D-01
      3   0.424379D+01  0.187357D+01 -0.820198D+00 -0.187716D-01 -0.439703D+00
                76            77            78            79            80 
      1  -0.745182D-01  0.232669D+00  0.373168D+00 -0.138425D+01  0.646222D-01
      2   0.232669D+00 -0.668959D+00 -0.789864D+00  0.646222D-01 -0.102748D+01
      3   0.373168D+00 -0.789864D+00 -0.197125D+01  0.113374D+01 -0.450182D+00
                81            82            83            84            85 
      1   0.113374D+01  0.864734D+01  0.341199D+01 -0.119692D+01  0.275368D+01
      2  -0.450182D+00  0.341199D+01  0.273645D+01 -0.715664D+00  0.180626D+01
      3  -0.797737D+01 -0.119692D+01 -0.715664D+00  0.111097D+01 -0.508441D+00
                86            87            88            89            90 
      1   0.180626D+01 -0.508441D+00  0.730459D+00  0.227579D+00  0.938832D+00
      2   0.194923D+01 -0.200939D+00  0.227579D+00  0.722646D+00  0.244127D+00
      3  -0.200939D+00  0.314207D+00  0.938832D+00  0.244127D+00 -0.553664D+00
                91            92            93            94            95 
      1   0.272153D+01 -0.192897D+01 -0.130014D+01 -0.323742D+01  0.322783D+01
      2  -0.192897D+01  0.188044D+01  0.320436D+01  0.322783D+01  0.300480D+01
      3  -0.130014D+01  0.320436D+01 -0.318550D+01  0.408555D+01  0.110301D+01
                96            97            98            99           100 
      1   0.408555D+01 -0.258349D+00  0.336538D+01 -0.340868D+01  0.235004D+01
      2   0.110301D+01  0.336538D+01  0.213644D+01 -0.614357D-01 -0.163474D+01
      3  -0.105473D+01 -0.340868D+01 -0.614357D-01 -0.142584D+01 -0.494415D+00
               101           102           103           104           105 
      1  -0.163474D+01 -0.494415D+00 -0.153416D+01  0.422601D+01  0.319519D+01
      2   0.301187D+01  0.258154D+01  0.422601D+01  0.128025D+01  0.190826D+01
      3   0.258154D+01 -0.361272D+01  0.319519D+01  0.190826D+01 -0.362918D+00
               106           107           108           109           110 
      1  -0.163980D+01  0.352549D+01 -0.338512D+01 -0.532494D+00 -0.315320D+01
      2   0.352549D+01  0.124564D+01 -0.411442D+00 -0.315320D+01 -0.157575D+01
      3  -0.338512D+01 -0.411442D+00  0.105300D+01  0.121443D+00 -0.415836D+01
               111           112           113           114           115 
      1   0.121443D+00 -0.322469D+01 -0.172088D+01 -0.407288D+01  0.657353D+00
      2  -0.415836D+01 -0.172088D+01  0.403676D+00 -0.213230D+01 -0.386287D+01
      3  -0.400837D+00 -0.407288D+01 -0.213230D+01  0.316957D+01 -0.972020D+00
               116           117           118           119           120 
      1  -0.386287D+01 -0.972020D+00 -0.400201D+01  0.200850D+01  0.220476D+01
      2  -0.989032D+00  0.361857D+01  0.200850D+01 -0.247137D+01 -0.165132D+01
      3   0.361857D+01 -0.100324D+01  0.220476D+01 -0.165132D+01 -0.190152D+01
               121           122           123           124           125 
      1   0.169405D+01 -0.225268D+01 -0.161010D+01  0.199633D+01 -0.174830D+01
      2  -0.225268D+01  0.381883D+01  0.189449D+01 -0.174830D+01  0.205176D+01
      3  -0.161010D+01  0.189449D+01  0.194310D+01 -0.200962D+01  0.230668D+01
               126           127           128           129           130 
      1  -0.200962D+01  0.144110D+01  0.176421D+01  0.961435D-01  0.152115D+01
      2   0.230668D+01  0.176421D+01  0.302813D+01  0.614693D+00  0.211341D+01
      3   0.337638D+01  0.961435D-01  0.614693D+00  0.259738D+00  0.391882D+00
               131           132           133           134           135 
      1   0.211341D+01  0.391882D+00  0.574197D+00  0.981650D+00  0.183506D+00
      2   0.921053D+01  0.118170D+01  0.981650D+00  0.298639D+01  0.147449D+01
      3   0.118170D+01  0.103293D+01  0.183506D+00  0.147449D+01  0.877853D+00
               136           137           138           139           140 
      1  -0.318698D+01  0.953883D+00 -0.179116D+01  0.281427D+00 -0.124371D+01
      2   0.953883D+00 -0.206115D+01  0.149919D+01 -0.124371D+01  0.241238D+01
      3  -0.179116D+01  0.149919D+01 -0.201022D+01  0.812222D+00 -0.134474D+01
               141           142           143           144           145 
      1   0.812222D+00 -0.219169D+01  0.120059D+01 -0.190900D+01  0.895894D-01
      2  -0.134474D+01  0.120059D+01 -0.231417D+01  0.218055D+01 -0.289406D+00
      3   0.127718D+01 -0.190900D+01  0.218055D+01 -0.371815D+01  0.590940D+00
               146           147           148           149           150 
      1  -0.289406D+00  0.590940D+00 -0.118116D+01  0.146751D+01 -0.439009D+00
      2  -0.354893D+00  0.226665D+00  0.146751D+01 -0.544296D+01  0.271497D+01
      3   0.226665D+00 -0.155105D+00 -0.439009D+00  0.271497D+01 -0.270027D+01
               151           152           153           154           155 
      1   0.158261D+01 -0.822492D+00  0.984909D+00  0.825626D+01  0.156128D+01
      2  -0.822492D+00  0.333734D+01 -0.286829D+01  0.156128D+01  0.127331D+01
      3   0.984909D+00 -0.286829D+01  0.289031D+01  0.147692D+01  0.372440D+00
               156           157           158           159           160 
      1   0.147692D+01  0.444039D+01  0.140324D+01  0.824762D+00  0.196013D+01
      2   0.372440D+00  0.140324D+01  0.143207D+01  0.509495D+00  0.441785D+00
      3   0.127750D+01  0.824762D+00  0.509495D+00  0.507405D+00  0.160406D+01
               161           162           163           164           165 
      1   0.441785D+00  0.160406D+01  0.165141D+01 -0.558778D+00 -0.113461D+01
      2   0.627074D+00 -0.140950D+00 -0.558778D+00  0.676374D+00  0.793314D+00
      3  -0.140950D+00  0.669512D+00 -0.113461D+01  0.793314D+00  0.107895D+01
               166           167           168           169           170 
      1  -0.110427D+01  0.145951D+01  0.103419D+01 -0.313881D+01  0.187098D+01
      2   0.145951D+01 -0.255863D+01 -0.135408D+01  0.187098D+01 -0.233755D+01
      3   0.103419D+01 -0.135408D+01 -0.213459D+01  0.226794D+01 -0.250717D+01
               171           172           173           174           175 
      1   0.226794D+01  0.305489D+01  0.817136D+00  0.931136D+00  0.617641D+00
      2  -0.250717D+01  0.817136D+00  0.893721D+00 -0.960806D+00  0.186478D+00
      3  -0.480602D+01  0.931136D+00 -0.960806D+00  0.238354D+01 -0.580663D+00
               176           177           178           179           180 
      1   0.186478D+00 -0.580663D+00  0.164770D+01 -0.242161D+00  0.100141D+01
      2  -0.106286D+01  0.103692D+01 -0.242161D+00  0.120834D+01 -0.154786D+01
      3   0.103692D+01 -0.117288D+01  0.100141D+01 -0.154786D+01  0.614063D+01
               181           182           183           184           185 
      1  -0.232799D+01 -0.162359D+01 -0.938660D-02 -0.273020D+01 -0.328640D+01
      2  -0.162359D+01 -0.206008D+01 -0.373296D+00 -0.328640D+01 -0.627062D+01
      3  -0.938660D-02 -0.373296D+00 -0.126849D+00 -0.166557D+00 -0.137411D+00
               186           187           188           189           190 
      1  -0.166557D+00 -0.131910D+01 -0.119964D+01 -0.897407D-01 -0.737363D+01
      2  -0.137411D+00 -0.119964D+01 -0.164531D+01 -0.667554D+00  0.157753D+01
      3  -0.120639D+01 -0.897407D-01 -0.667554D+00 -0.576155D+00  0.260517D+01
               191           192           193           194           195 
      1   0.157753D+01  0.260517D+01  0.402622D+01 -0.194324D+01 -0.187160D+01
      2  -0.159023D+01 -0.679355D+00 -0.194324D+01  0.135069D+01  0.619956D+00
      3  -0.679355D+00 -0.175683D+01 -0.187160D+01  0.619956D+00  0.164531D+01
               196           197           198           199           200 
      1   0.161727D+01 -0.739762D+00 -0.134336D+01  0.178481D+01  0.965250D+00
      2  -0.739762D+00  0.214905D+00  0.490297D+00  0.965250D+00  0.574318D+00
      3  -0.134336D+01  0.490297D+00  0.164608D+01 -0.658201D+00 -0.810140D+00
               201           202           203           204           205 
      1  -0.658201D+00  0.139455D+01  0.204865D+00 -0.349568D+00 -0.119462D+01
      2  -0.810140D+00  0.204865D+00  0.126793D+01 -0.139055D+01 -0.663795D+00
      3   0.233019D+01 -0.349568D+00 -0.139055D+01  0.169983D+01  0.740377D+00
               206           207           208           209           210 
      1  -0.663795D+00  0.740377D+00 -0.662463D+01  0.284165D+01 -0.287339D+00
      2  -0.154392D+01  0.165718D+01  0.284165D+01 -0.248155D+01 -0.940216D-01
      3   0.165718D+01 -0.556198D+01 -0.287339D+00 -0.940216D-01 -0.806807D+00
               211           212           213           214           215 
      1   0.405187D+01 -0.311413D+01  0.255409D-01  0.185595D+01 -0.948207D+00
      2  -0.311413D+01  0.289910D+01 -0.346541D+00 -0.948207D+00  0.578218D+00
      3   0.255409D-01 -0.346541D+00  0.945871D+00 -0.453715D+00  0.511330D+00
               216           217           218           219           220 
      1  -0.453715D+00 -0.314222D+01 -0.153842D+01 -0.127055D+01 -0.338660D+01
      2   0.511330D+00 -0.153842D+01 -0.182815D+01 -0.104241D+01 -0.272080D+01
      3   0.366373D+00 -0.127055D+01 -0.104241D+01 -0.842991D+00 -0.203793D+01
               221           222           223           224           225 
      1  -0.272080D+01 -0.203793D+01 -0.109487D+01 -0.111971D+01 -0.992949D+00
      2  -0.381664D+01 -0.172391D+01 -0.111971D+01 -0.119927D+01 -0.115962D+01
      3  -0.172391D+01 -0.227058D+01 -0.992949D+00 -0.115962D+01 -0.185425D+01
               226           227           228           229           230 
      1  -0.243332D+01 -0.910909D+00  0.102053D+01 -0.124826D+01 -0.159893D+00
      2  -0.910909D+00 -0.358457D+00  0.666584D+00 -0.159893D+00 -0.229552D+01
      3   0.102053D+01  0.666584D+00 -0.610007D+00  0.472089D+00  0.233253D+01
               231           232           233           234           235 
      1   0.472089D+00  0.106988D+01  0.369003D+00 -0.148203D+00  0.434843D+01
      2   0.233253D+01  0.369003D+00  0.153799D+01 -0.221447D+01  0.241798D+01
      3  -0.352354D+01 -0.148203D+00 -0.221447D+01  0.622610D+01  0.236114D+01
               236           237           238           239           240 
      1   0.241798D+01  0.236114D+01  0.275538D+01  0.233487D+01  0.200622D+01
      2   0.210304D+01  0.184364D+01  0.233487D+01  0.344640D+01  0.215154D+01
      3   0.184364D+01  0.243585D+01  0.200622D+01  0.215154D+01  0.195623D+01
               241           242           243 
      1   0.129721D+01  0.116124D+01  0.180380D+01
      2   0.116124D+01  0.132188D+01  0.119936D+01
      3   0.180380D+01  0.119936D+01  0.286643D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.416588D+00  0.267437D+01  0.270655D+00  0.569676D+00  0.220237D+01
      2  -0.261551D+01  0.219742D+00  0.116436D+02  0.185374D+01  0.257158D+01
      3  -0.572501D+01 -0.640754D+01 -0.122039D+00  0.339438D+01  0.612016D+01
                 6             7             8             9            10 
      1  -0.469076D+01  0.158015D+01  0.186918D+01 -0.389429D+00  0.581054D+01
      2  -0.662932D+01 -0.537720D-01 -0.978308D+01 -0.417889D+01 -0.218467D+01
      3  -0.242606D+01 -0.383072D+01 -0.726836D+01  0.510448D+01  0.889777D+01
                11            12            13            14            15 
      1  -0.198829D+01 -0.196017D+01 -0.176313D+01  0.153177D+01 -0.137437D+01
      2  -0.101957D+01  0.313071D+01 -0.463502D+01 -0.205763D+01  0.640249D+01
      3  -0.561984D+01 -0.167099D+01 -0.299781D+01 -0.383091D+01  0.367027D+01
                16            17            18            19            20 
      1  -0.962265D+00  0.440003D+01 -0.853216D+01 -0.233344D-01 -0.128968D+01
      2  -0.405841D+01  0.832397D+01  0.107528D+02  0.221416D+01  0.378859D+01
      3  -0.701868D+00  0.851117D+01 -0.492505D+01  0.243043D+01  0.360450D+00
                21            22            23            24            25 
      1  -0.137962D+01  0.113864D+01 -0.723832D+01  0.586833D+01 -0.965178D+00
      2  -0.694323D+01  0.103011D+02 -0.119632D+01  0.262845D+01 -0.207644D+02
      3  -0.309691D+01  0.778044D+01 -0.363253D+01  0.742961D+00 -0.875919D+01
                26            27            28            29            30 
      1   0.965562D+01  0.892169D+01 -0.345181D+00  0.716588D+00 -0.222537D+00
      2   0.352335D+01  0.199655D+01 -0.132790D+01 -0.165392D+01  0.348472D+01
      3   0.446503D+00 -0.106849D+01 -0.118702D+00  0.636362D+00  0.214423D+01
                31            32            33            34            35 
      1  -0.409167D+00  0.401030D+01 -0.992257D+01 -0.126239D+00 -0.271739D+00
      2  -0.901345D+01  0.190403D+00  0.168451D+01  0.982760D+00 -0.779251D-01
      3   0.117607D+02  0.267586D+01  0.128591D+01  0.917158D+01  0.819509D+00
                36            37            38            39            40 
      1  -0.696211D+01  0.722768D+00 -0.227616D+01  0.293200D+01 -0.777502D+00
      2   0.494117D+00  0.118702D+01  0.362203D+01  0.759873D+00  0.658737D+01
      3   0.113878D+01 -0.122518D+01 -0.117974D+02 -0.489843D+01 -0.254154D+01
                41            42            43            44            45 
      1  -0.144021D+01 -0.609618D+01  0.190957D+01  0.304078D+01 -0.328936D+00
      2   0.398036D+01 -0.447052D+01 -0.852620D+01  0.552030D+00 -0.197015D+01
      3  -0.124717D+01 -0.448166D+01 -0.654348D+01 -0.164948D+01  0.683838D+00
                46            47            48            49            50 
      1   0.392917D+01 -0.508816D+01  0.566706D+01 -0.591036D+01  0.272100D+00
      2   0.219899D+01 -0.248928D+01  0.516760D+01 -0.461041D+01 -0.132788D+01
      3  -0.265657D+01 -0.171103D+01 -0.415462D+00  0.503792D+01  0.495381D+01
                51            52            53            54            55 
      1   0.174063D+00  0.603294D+01  0.758497D+01 -0.964769D+00 -0.505244D+01
      2  -0.362953D+01 -0.193498D+01 -0.477622D+01 -0.350816D+00 -0.104866D+01
      3   0.649808D+01  0.571651D+00  0.626400D+01 -0.209111D+01  0.498416D+00
                56            57            58            59            60 
      1   0.118466D+02 -0.487011D+01  0.107865D+02  0.542717D+01 -0.285873D+01
      2   0.753070D+00  0.301108D+01  0.105464D+01 -0.991454D+00 -0.174183D+01
      3  -0.689190D+00  0.347311D+01  0.694862D+01 -0.565577D+01 -0.898309D+01
                61            62            63            64            65 
      1  -0.661082D+01  0.496440D+01 -0.213922D+01 -0.804091D+00 -0.245887D+01
      2  -0.673250D+00 -0.234710D+01  0.242399D+01 -0.961829D+00 -0.394119D+01
      3   0.368957D+01 -0.108511D+02  0.808336D+01  0.152424D+02  0.189250D+01
                66            67            68            69            70 
      1  -0.183646D+01 -0.256243D+01 -0.212414D+01  0.437416D+01 -0.518479D+01
      2  -0.144488D+01 -0.540046D+01 -0.483784D+01  0.123212D+02 -0.948757D+01
      3   0.580232D+01  0.106916D+02 -0.776929D+01  0.766638D+01  0.606653D+01
                71            72            73            74            75 
      1   0.860226D+01  0.320259D+01  0.581802D+00  0.749689D+00  0.609186D+00
      2   0.130457D+02  0.558800D+01 -0.212042D+01 -0.878415D-01 -0.124411D+01
      3   0.718562D+01 -0.106104D+02 -0.768165D+00 -0.729946D-01 -0.618424D+00
                76            77            78            79            80 
      1  -0.106259D+00  0.276141D+01  0.184060D+01 -0.139872D+01  0.518765D+01
      2  -0.507680D+00 -0.151511D+01 -0.364667D+01 -0.287362D+01 -0.917686D+00
      3   0.500936D+00  0.187363D+01  0.116503D+01 -0.111621D+01  0.211148D+01
                81            82            83            84            85 
      1   0.955951D+01 -0.159998D+01 -0.212912D+01 -0.153908D+01 -0.130791D+01
      2  -0.135450D+02  0.549829D+01 -0.158450D+00  0.418624D+01  0.281192D+01
      3   0.198163D+01  0.338617D+01 -0.569638D+01  0.617671D+00  0.176177D+01
                86            87            88            89            90 
      1  -0.154559D+01 -0.137768D+01 -0.710637D+00 -0.237892D+00  0.458518D+00
      2   0.138761D+01  0.577427D+00  0.690690D+00 -0.740472D+00 -0.516643D+00
      3  -0.225857D+01 -0.556054D+00  0.158647D+00 -0.196340D+01  0.361708D+00
                91            92            93            94            95 
      1  -0.357439D+01  0.631172D+01  0.427330D+00  0.828734D+01  0.740010D+01
      2   0.112996D+00 -0.594863D+01  0.113909D+02 -0.878381D+01 -0.685970D+01
      3  -0.700613D+01  0.432396D+01  0.956485D+01  0.108827D+02  0.619159D+01
                96            97            98            99           100 
      1  -0.492056D+00  0.143143D+01  0.476540D+01 -0.378684D+01  0.109734D+01
      2  -0.127561D+01  0.796760D+01 -0.473349D+01  0.108629D+02  0.442657D+01
      3   0.923348D+00  0.103689D+02  0.181356D+01  0.288827D+01 -0.293311D+01
               101           102           103           104           105 
      1  -0.431218D+01 -0.413492D+01 -0.702706D+01 -0.230154D+01 -0.553626D+01
      2  -0.854836D+01  0.111016D+02 -0.902705D+01 -0.148910D+01  0.544117D+01
      3   0.608029D+01  0.716731D+01  0.138462D+02  0.385595D+01  0.690455D+01
               106           107           108           109           110 
      1  -0.502157D+01 -0.122073D+01  0.213964D+00 -0.668275D+01  0.250229D+00
      2   0.646807D+01  0.504449D+01 -0.814120D+01 -0.340161D+01  0.426953D-01
      3   0.104441D+02  0.425824D+01 -0.218444D+01  0.367209D+01 -0.419880D+01
               111           112           113           114           115 
      1  -0.807079D+01 -0.358814D+00 -0.654490D+00 -0.985157D+01 -0.663498D+01
      2  -0.891953D+00  0.140596D+01 -0.178232D+01  0.107640D+02 -0.510963D+01
      3   0.274144D+01  0.119820D+01 -0.359631D+01 -0.167651D+00  0.388183D+01
               116           117           118           119           120 
      1  -0.259238D+01  0.606717D+01 -0.152916D+01 -0.846526D+00  0.225909D+01
      2   0.106744D+02 -0.185859D+01  0.327570D+01 -0.833039D+00  0.121946D+01
      3  -0.698312D+00 -0.391907D+01 -0.579523D+01 -0.128083D+01  0.205379D+01
               121           122           123           124           125 
      1   0.472206D+00  0.140833D+01 -0.308933D+01  0.127068D+01  0.423435D+00
      2  -0.120138D+01  0.946339D+00 -0.102532D+01 -0.301293D+01  0.372890D+00
      3   0.317824D+01 -0.139431D-01 -0.124161D+01  0.313839D+01 -0.111572D-01
               126           127           128           129           130 
      1  -0.375008D+01 -0.771359D+00 -0.351478D+01 -0.173324D+01 -0.216733D+01
      2  -0.100967D+01  0.493683D+00  0.563829D+00  0.146533D+01  0.370672D+00
      3  -0.138008D+01  0.419807D+01  0.220966D+01  0.240140D+00  0.611721D+01
               131           132           133           134           135 
      1  -0.690566D+01 -0.630032D+01 -0.486702D+00 -0.372481D+01 -0.391029D+01
      2   0.107509D+01  0.113435D+01 -0.328256D+00  0.670121D+00 -0.130895D+00
      3   0.286078D+01  0.892633D+00  0.219806D+01  0.170457D+01 -0.141522D+00
               136           137           138           139           140 
      1   0.566817D+01 -0.135505D+01  0.599963D+01 -0.603509D+00  0.254633D+01
      2  -0.456193D+01 -0.681834D-01 -0.946478D+00 -0.602590D-01 -0.179916D+01
      3  -0.109923D+02  0.499998D+00 -0.484938D+01  0.156165D+01 -0.298452D+01
               141           142           143           144           145 
      1  -0.318134D+01  0.543212D+01 -0.174361D+01  0.969851D+01  0.710942D+00
      2  -0.696197D-02 -0.511006D+01  0.902403D+00 -0.163024D+01  0.177329D+01
      3   0.256733D+01 -0.775304D+01  0.310997D+01 -0.562480D+01  0.991237D+00
               146           147           148           149           150 
      1   0.861180D-02 -0.384899D+00 -0.311362D+00  0.164893D+01 -0.544582D+01
      2   0.237815D+00 -0.229523D-01  0.123584D+00  0.721721D+01 -0.802388D+01
      3   0.362770D+00 -0.137432D+01 -0.617329D-01  0.140880D+02 -0.760824D+01
               151           152           153           154           155 
      1   0.769711D+00 -0.152351D+01  0.436422D+01  0.198724D+01  0.136623D+01
      2   0.407908D-01 -0.764969D+01  0.798420D+01  0.228265D+01  0.903052D+00
      3  -0.115607D+01 -0.916426D+01  0.739966D+01 -0.125094D+02 -0.853681D+01
               156           157           158           159           160 
      1   0.982167D+00  0.115044D+01  0.129387D+01 -0.418398D+00  0.164622D+01
      2   0.585209D+01  0.156370D+01  0.116078D+01  0.238064D+01  0.265521D+01
      3  -0.289338D+01 -0.663969D+01 -0.717155D+01 -0.228089D+01 -0.346969D+01
               161           162           163           164           165 
      1   0.944211D+00  0.431850D+00 -0.171952D+01  0.101103D+01  0.197170D+01
      2  -0.520797D+00  0.204160D+01 -0.345887D+01  0.269034D+01  0.418243D+01
      3  -0.311823D+01 -0.104245D+01  0.209495D+00 -0.196450D+01 -0.792460D+00
               166           167           168           169           170 
      1   0.166445D+01 -0.137434D+01 -0.468104D+01  0.313747D+01 -0.161876D+01
      2   0.242644D+01 -0.401015D+01 -0.709099D+01  0.393448D+01 -0.722150D+01
      3  -0.968573D+00  0.600258D+01  0.279245D+01 -0.385063D+00  0.575664D+01
               171           172           173           174           175 
      1  -0.789480D+01  0.479370D+01  0.212248D+01  0.160910D+01  0.426610D+00
      2  -0.147931D+02 -0.140221D+02 -0.112891D+01 -0.659794D+01 -0.358631D+00
      3   0.520857D+01 -0.453598D+01 -0.762254D-01 -0.335809D+01  0.561839D+00
               176           177           178           179           180 
      1  -0.681105D+00 -0.773985D+00  0.133992D+01  0.250392D+01  0.471475D+01
      2  -0.311674D+01  0.337459D+01 -0.924265D+01  0.350713D+01 -0.160006D+02
      3  -0.244887D+01  0.271319D+01 -0.363975D+01  0.255064D+01 -0.526350D+01
               181           182           183           184           185 
      1  -0.259193D+01 -0.331885D+01 -0.122054D+01 -0.454529D+01 -0.891410D+01
      2   0.278294D+01  0.282644D+01  0.120407D+01  0.355873D+01  0.472585D+01
      3  -0.138689D+01 -0.464031D+01 -0.745797D+00 -0.270836D+01 -0.134872D+02
               186           187           188           189           190 
      1  -0.458893D+01 -0.985719D+00 -0.215790D+01 -0.271356D+01  0.396129D+01
      2   0.462065D+01  0.466810D-01  0.275793D+01  0.206740D+01  0.247641D+01
      3  -0.548237D+00 -0.663205D+00 -0.355322D+01 -0.203028D+01  0.783752D+01
               191           192           193           194           195 
      1  -0.392469D+01 -0.158758D+01 -0.340948D+01  0.282679D+01  0.321451D+00
      2  -0.541836D+00  0.372548D+01  0.234328D-01  0.654656D+00 -0.363523D+01
      3  -0.766947D+01 -0.326209D+01 -0.486546D+01  0.556108D+01  0.169404D+01
               196           197           198           199           200 
      1  -0.221019D+01  0.166279D+01  0.191177D+01 -0.247443D+01 -0.228515D+01
      2  -0.616149D+00 -0.621852D-01 -0.290866D+01  0.759828D+01  0.427651D+01
      3  -0.317716D+01  0.197835D+01  0.203983D+01  0.419553D+01  0.177211D+01
               201           202           203           204           205 
      1   0.576542D+00 -0.157128D+01 -0.280198D+01  0.667733D+00  0.134753D+01
      2  -0.606249D+01  0.495951D+01  0.468623D+01 -0.513251D+01 -0.735642D+01
      3  -0.228152D+01  0.330123D+01  0.396277D+01 -0.362384D+01 -0.302290D+01
               206           207           208           209           210 
      1   0.440662D+01 -0.686200D+00 -0.325230D+01  0.326970D+01  0.181905D+01
      2  -0.580414D+01  0.146182D+02 -0.526635D+01  0.337041D+01  0.419633D+01
      3  -0.388959D+01  0.458486D+01  0.443468D+01 -0.762972D+01 -0.441497D+00
               211           212           213           214           215 
      1   0.356490D+01 -0.328535D+01 -0.172980D+01  0.977032D+00  0.111348D+00
      2   0.376176D+01 -0.180627D+01 -0.427724D+01  0.675902D+00 -0.152303D+01
      3  -0.473121D+01  0.781752D+01 -0.850700D+00 -0.186348D+01  0.184128D+01
               216           217           218           219           220 
      1  -0.129409D+01  0.276936D+01  0.336221D+01  0.113267D+01  0.372337D+01
      2  -0.202042D+01 -0.584456D+00  0.629753D+00  0.187124D+01  0.241055D+00
      3   0.112325D+01 -0.425729D+01 -0.616281D+01 -0.309370D+01 -0.467890D+01
               221           222           223           224           225 
      1   0.735488D+01  0.513794D+00  0.215885D+01  0.322205D+01  0.142968D+01
      2   0.143009D+01  0.464627D+01 -0.334614D+00  0.115134D+01  0.371242D+01
      3  -0.119481D+02 -0.433552D+01 -0.302795D+01 -0.405077D+01 -0.315500D+01
               226           227           228           229           230 
      1  -0.372354D+01 -0.268841D+01  0.194813D+01 -0.119264D+01 -0.684712D+01
      2   0.983885D+01  0.412514D+01 -0.183396D+01  0.639852D+01  0.334728D+01
      3   0.191878D+01  0.351715D+00 -0.203903D+00  0.275931D+01  0.273072D+01
               231           232           233           234           235 
      1   0.464029D+01  0.120661D+01  0.724288D+01 -0.679694D+01  0.252867D+01
      2  -0.533527D+01 -0.514619D+01 -0.346326D+01  0.614228D+01 -0.484656D+01
      3  -0.219068D+01 -0.874542D+00 -0.103909D+01  0.243588D+01  0.191330D+01
               236           237           238           239           240 
      1   0.378641D+01  0.735644D+00  0.248045D+01  0.508083D+01  0.468459D+00
      2  -0.128143D+01  0.193545D+01 -0.384398D+01 -0.583789D+00 -0.548518D-01
      3  -0.239816D+01 -0.363153D-01  0.197214D+01 -0.256643D+01 -0.462668D+00
               241           242           243 
      1   0.114172D+01  0.256602D+01 -0.474965D+00
      2  -0.189478D+01 -0.988526D+00  0.611197D+00
      3   0.295039D+00 -0.109451D+01  0.402022D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.138539D+02  0.754191D+01 -0.152817D+01  0.145982D+02  0.484233D+00
      2  -0.901386D+01 -0.415190D+01 -0.270235D+01 -0.898669D+01  0.509476D+01
      3  -0.484007D+01 -0.339001D+01  0.423052D+01 -0.561147D+01 -0.557899D+01
      4   0.135039D+02  0.244188D+01  0.162750D+01  0.923805D+00 -0.472814D+01
      5  -0.161145D+01  0.417312D+01  0.959796D+01  0.740042D+01  0.867627D+01
      6  -0.709056D+00  0.133613D+01  0.611392D+01  0.409700D+01  0.728860D+01
                 6             7             8             9            10 
      1   0.381827D+01  0.341088D+01  0.627139D+01  0.805530D+01 -0.189498D+02
      2   0.149854D+00 -0.187504D+01  0.311746D+00 -0.195974D+01  0.160011D+01
      3  -0.396813D+01 -0.153584D+01 -0.658314D+01 -0.609556D+01  0.173496D+02
      4   0.514603D+01  0.496184D+01  0.750529D+01 -0.126423D+02 -0.248506D+02
      5  -0.654096D+01  0.665659D+01 -0.128232D+02 -0.149700D+01  0.775905D+01
      6  -0.231105D+01 -0.392561D+01 -0.353289D+01 -0.120234D+01  0.677035D+01
                11            12            13            14            15 
      1  -0.176683D+02  0.669654D+00 -0.182473D+02 -0.509268D+01  0.798833D+01
      2   0.138323D+02  0.304875D+01  0.114665D+02 -0.171086D+01  0.519211D+00
      3   0.383593D+01 -0.371841D+01  0.678082D+01  0.680354D+01 -0.850755D+01
      4  -0.120819D+02  0.267247D+01 -0.116483D+02  0.416743D+01 -0.472983D+01
      5   0.900647D+01  0.248880D+01  0.617064D+01 -0.718322D+01  0.793561D+01
      6   0.599557D+01 -0.110345D+01  0.420770D+00 -0.693241D+01  0.554444D+01
                16            17            18            19            20 
      1  -0.616956D+01  0.434481D+01  0.587748D+01 -0.197165D+02 -0.214671D+00
      2   0.341446D+01 -0.569695D-01  0.139039D+02  0.123953D+02 -0.265232D+01
      3   0.275510D+01 -0.428784D+01 -0.197814D+02  0.732120D+01  0.286699D+01
      4  -0.291128D+01 -0.604258D+01  0.841111D+01 -0.179989D+01 -0.418262D+01
      5   0.191188D+01  0.101823D+02  0.872719D+01  0.121231D+01 -0.119797D+01
      6   0.287096D+01  0.858029D+01 -0.106426D+01  0.114569D+01 -0.199182D+01
                21            22            23            24            25 
      1  -0.882571D+00 -0.266061D+01  0.180619D+02  0.682668D+01 -0.317902D+01
      2   0.863199D+00  0.250595D+00 -0.260647D+02 -0.163034D+01  0.324606D+01
      3   0.193726D-01  0.241001D+01  0.800284D+01 -0.519635D+01 -0.670413D-01
      4   0.354692D+00 -0.698495D+01  0.296970D+01  0.292780D-01 -0.623340D+01
      5  -0.781444D+01 -0.886387D+01 -0.376925D+01  0.296519D+01 -0.101663D+01
      6  -0.999738D+00 -0.157421D+00 -0.186215D+02 -0.113623D+02 -0.395240D+00
                26            27            28            29            30 
      1   0.838172D+01  0.256452D+01  0.187260D+01 -0.120052D+01 -0.103095D+01
      2  -0.145608D+02 -0.617505D+01  0.255740D+01  0.195468D+01  0.233197D+00
      3   0.617913D+01  0.361053D+01 -0.443001D+01 -0.754169D+00  0.797756D+00
      4  -0.658228D+00  0.234654D+01  0.131872D+01  0.128898D+02  0.348434D+01
      5   0.139660D+01 -0.931249D-01 -0.706332D-01  0.308693D+01  0.746736D+01
      6  -0.300934D+01 -0.112527D+02  0.449287D+01  0.724523D+00  0.148922D+01
                31            32            33            34            35 
      1   0.118577D+01 -0.421923D+02 -0.150173D+02  0.352623D+00 -0.170422D+02
      2  -0.178685D+00  0.628880D+02  0.119573D+02 -0.749453D+00  0.133664D+02
      3  -0.100708D+01 -0.206957D+02  0.306002D+01  0.396830D+00  0.367583D+01
      4   0.149007D+02  0.280837D+00 -0.676417D+00  0.520453D+01 -0.757692D+00
      5   0.470982D+01  0.177126D+01  0.115099D+01  0.803774D+01  0.219055D+01
      6  -0.207408D+00  0.296593D+02  0.234299D+02  0.102188D+01  0.251393D+02
                36            37            38            39            40 
      1  -0.179590D+02  0.123279D+02  0.240885D+01  0.614846D+00 -0.550222D+01
      2   0.790846D+01 -0.348714D+01 -0.204176D+01  0.154976D+01  0.618335D+01
      3   0.100506D+02 -0.884081D+01 -0.367092D+00 -0.216461D+01 -0.681139D+00
      4  -0.275305D+00 -0.411838D+01  0.835212D+01  0.116277D+02  0.546222D+01
      5   0.232317D+01 -0.517642D+01  0.100681D+02 -0.909144D+01  0.154957D+02
      6   0.232636D+02  0.546140D+01 -0.863351D+00 -0.779280D+01  0.132788D+01
                41            42            43            44            45 
      1   0.847815D+01  0.111718D+02 -0.155734D+01  0.122440D+02 -0.135082D+02
      2  -0.437045D+01 -0.109859D+02  0.254993D+00 -0.915038D+01  0.966587D+01
      3  -0.410770D+01 -0.185975D+00  0.130235D+01 -0.309363D+01  0.384230D+01
      4  -0.200493D+01  0.455421D+01  0.154768D+02  0.103873D+01 -0.421494D+01
      5   0.444330D+01 -0.977800D+01 -0.172713D+02 -0.226882D+01 -0.178781D+01
      6   0.588472D+00 -0.197189D+01 -0.446658D+01 -0.224767D+01  0.658883D+01
                46            47            48            49            50 
      1  -0.686890D+00 -0.571059D+01 -0.896671D+01 -0.864181D+01 -0.487574D+01
      2   0.478448D+01  0.203617D+01  0.125872D+02  0.343961D+01  0.458597D+01
      3  -0.409759D+01  0.367442D+01 -0.362049D+01  0.520220D+01  0.289777D+00
      4   0.600190D+01 -0.567145D+01 -0.697498D+01 -0.643809D+01  0.544724D+01
      5   0.248544D+01 -0.219392D+01 -0.787027D+01 -0.300834D+01  0.451662D+01
      6  -0.399147D+01  0.160965D+02  0.594173D+01  0.127861D+02 -0.237123D+01
                51            52            53            54            55 
      1  -0.200624D+01 -0.851146D+01 -0.457960D+01  0.449204D+01 -0.128170D+01
      2   0.416138D+01  0.113414D+02  0.725912D+01 -0.553259D+01  0.232421D+01
      3  -0.215514D+01 -0.282996D+01 -0.267952D+01  0.104054D+01 -0.104251D+01
      4   0.874363D+01 -0.113217D+02  0.101494D+02  0.444451D+01 -0.143841D+00
      5   0.505526D+01 -0.399532D+01  0.574719D+01  0.192119D+01 -0.155011D+01
      6  -0.641442D+01  0.694278D+01 -0.768738D+01 -0.408991D+01  0.345789D+01
                56            57            58            59            60 
      1   0.817774D+01  0.106026D+02  0.109855D+02  0.107004D+02  0.254283D+01
      2  -0.175894D+02 -0.155932D+02 -0.159251D+02 -0.226557D+02 -0.884120D+01
      3   0.941166D+01  0.499057D+01  0.493962D+01  0.119553D+02  0.629836D+01
      4  -0.542730D+01  0.313208D+01 -0.189030D+01 -0.115779D+02 -0.972832D+01
      5  -0.171293D+01 -0.334980D+01 -0.289354D+01 -0.375174D+01  0.216746D+01
      6  -0.163447D+02  0.995530D+01 -0.114010D+02 -0.840417D+01 -0.411959D+00
                61            62            63            64            65 
      1   0.112475D+02  0.552989D+01  0.186721D+01 -0.221486D+02 -0.235131D+02
      2  -0.152595D+02 -0.138283D+02 -0.229149D+01  0.191499D+02  0.129428D+02
      3   0.401201D+01  0.829846D+01  0.424275D+00  0.299876D+01  0.105703D+02
      4   0.528534D+01 -0.133095D+02  0.591985D+01 -0.236711D+02  0.435271D+01
      5  -0.369109D+01  0.192101D+01 -0.394441D+01 -0.705741D+01 -0.108826D+02
      6   0.994260D+01 -0.543017D+01  0.445457D+01 -0.320696D+01  0.402644D+01
                66            67            68            69            70 
      1  -0.890077D+01 -0.311648D+02  0.528199D+01 -0.158369D+02 -0.886712D+01
      2   0.747568D+01  0.171605D+02 -0.539757D+01  0.117982D+02  0.614791D+01
      3   0.142509D+01  0.140043D+02  0.115581D+00  0.403869D+01  0.271921D+01
      4  -0.816201D+01 -0.304707D+00  0.924132D+01 -0.521377D+01 -0.995315D+01
      5  -0.786970D+01 -0.139909D+02 -0.811160D+01  0.215008D+02 -0.127303D+02
      6   0.175950D+01  0.197211D+01  0.732930D+01 -0.149223D+02  0.790678D+01
                71            72            73            74            75 
      1  -0.153846D+02  0.391410D+00  0.189139D+01  0.223435D+01 -0.338225D+01
      2   0.118558D+02 -0.691757D+01 -0.348036D+01 -0.209936D+01  0.597639D+00
      3   0.352878D+01  0.652616D+01  0.158897D+01 -0.134982D+00  0.278461D+01
      4  -0.447198D+01  0.219256D+02  0.238677D+01  0.154156D+01 -0.832214D+00
      5   0.221586D+02  0.116540D+02 -0.301333D+01 -0.349859D+00  0.434145D+01
      6  -0.161445D+02 -0.323449D+01 -0.109421D+01  0.303224D+00 -0.110192D+01
                76            77            78            79            80 
      1   0.729172D+00 -0.179372D+01 -0.179290D+01 -0.195001D+01  0.428989D+00
      2   0.684904D+00 -0.115748D+01 -0.601472D+01  0.536806D+01 -0.418944D+01
      3  -0.141408D+01  0.295121D+01  0.780762D+01 -0.341805D+01  0.376045D+01
      4   0.245869D+01 -0.202104D+01 -0.190884D+01 -0.182683D+01 -0.265246D+01
      5   0.184695D+01 -0.183039D+01 -0.597222D+01  0.901472D+01 -0.151293D+01
      6  -0.726052D+00  0.175927D+01  0.367248D+01  0.116285D+01  0.496266D+01
                81            82            83            84            85 
      1  -0.161264D+02  0.413249D+02  0.112587D+02 -0.342946D+01  0.946059D+01
      2  -0.228564D+02 -0.167361D+02 -0.131683D+01  0.310293D+01 -0.199835D+00
      3   0.389828D+02 -0.245888D+02 -0.994187D+01  0.326534D+00 -0.926075D+01
      4   0.155944D+00  0.336638D+02  0.204113D+02 -0.557724D+01  0.182131D+02
      5  -0.216843D+02 -0.165593D+02 -0.778259D+01  0.927973D+01 -0.556164D+01
      6  -0.901381D+01 -0.807400D+01 -0.613739D+01  0.471039D+01 -0.412256D+01
                86            87            88            89            90 
      1   0.447611D+01 -0.145208D+01  0.415948D+01  0.104767D+00  0.221438D+01
      2   0.387246D+01  0.338518D+00 -0.229675D+00  0.828585D+00 -0.380328D+01
      3  -0.834857D+01  0.111357D+01 -0.392980D+01 -0.933352D+00  0.158890D+01
      4   0.140451D+02 -0.240018D+01  0.173968D+01  0.241910D+01  0.320001D+01
      5  -0.285210D+01  0.258315D+01  0.610521D+01  0.159516D+01 -0.291708D+01
      6  -0.383339D+01  0.302005D+01  0.286105D+01  0.154391D+01 -0.804406D+00
                91            92            93            94            95 
      1  -0.171791D+02  0.869991D+01  0.166310D+02  0.155522D+02 -0.118287D+02
      2   0.114369D+02 -0.156354D+02 -0.572601D+01 -0.242914D+02 -0.442573D+01
      3   0.574217D+01  0.693548D+01 -0.109050D+02  0.873919D+01  0.162544D+02
      4   0.948569D+01 -0.909962D+01 -0.127038D+02 -0.123798D+02 -0.164481D+02
      5   0.137669D+02 -0.181180D+02  0.563847D+01 -0.256304D+02 -0.221863D+01
      6  -0.769917D+01  0.142632D+00  0.132559D+02 -0.106071D+01  0.251041D+00
                96            97            98            99           100 
      1  -0.174826D+02  0.142249D+02 -0.145386D+02  0.188330D+02 -0.141173D+02
      2   0.831426D+01 -0.477683D+01  0.331692D+01 -0.502260D+01 -0.948785D-01
      3   0.916839D+01 -0.944803D+01  0.112217D+02 -0.138104D+02  0.142122D+02
      4  -0.909387D+01 -0.167611D+02 -0.110134D+02  0.732074D+01  0.119637D+02
      5   0.127436D+02  0.994633D+01  0.652665D+01 -0.172209D+01  0.832399D+00
      6   0.384369D+01  0.131081D+02  0.243392D+01  0.151532D+01 -0.672724D+00
               101           102           103           104           105 
      1   0.128385D+02 -0.317960D+01  0.154985D+02 -0.180815D+02 -0.159374D+02
      2   0.232275D+01 -0.544698D+01  0.204327D-01  0.110270D+02  0.591878D+01
      3  -0.151612D+02  0.862658D+01 -0.155189D+02  0.705444D+01  0.100187D+02
      4  -0.202082D+02 -0.119924D+02 -0.260310D+02 -0.324637D+01 -0.838830D+01
      5  -0.959876D+01  0.135367D+02 -0.125215D+02 -0.133230D+02 -0.445629D+01
      6  -0.652156D+01 -0.657925D+01 -0.101423D+02 -0.454817D+01 -0.576676D+01
               106           107           108           109           110 
      1   0.167366D+01 -0.184490D+02  0.191844D+02 -0.213115D+00  0.284358D+01
      2  -0.720855D+01  0.780617D+01 -0.770804D+01 -0.451591D+01  0.540470D+01
      3   0.553489D+01  0.106428D+02 -0.114763D+02  0.472902D+01 -0.824828D+01
      4  -0.173078D+02 -0.350257D+01 -0.275683D+01 -0.754277D+01 -0.566258D+01
      5   0.169405D+02 -0.591748D+01  0.457074D+01 -0.337810D+01 -0.136887D+02
      6  -0.940973D+01 -0.319480D+01  0.622949D+00 -0.799777D+01 -0.109206D+02
               111           112           113           114           115 
      1   0.463583D+01  0.773282D+00  0.743556D-01 -0.100649D+02  0.542411D+01
      2  -0.570848D+01  0.589641D+01  0.255454D+01 -0.577800D+01 -0.631159D+01
      3   0.107265D+01 -0.666969D+01 -0.262890D+01  0.158429D+02  0.887489D+00
      4  -0.857684D+01 -0.827120D+01 -0.285322D+01 -0.689694D+01 -0.751419D+01
      5  -0.218541D+01 -0.138491D+02 -0.848731D+01 -0.505934D+01 -0.455717D+01
      6  -0.116436D+02 -0.971965D+01 -0.485259D+01 -0.511661D+01 -0.803912D+01
               116           117           118           119           120 
      1  -0.101108D+02 -0.382356D+01  0.375877D+01  0.277738D+01  0.191078D+01
      2  -0.529511D+01  0.495802D+01 -0.159166D+01 -0.512234D+01 -0.836416D-01
      3   0.154059D+02 -0.113446D+01 -0.216710D+01  0.234495D+01 -0.182714D+01
      4  -0.543399D+01  0.338985D+01 -0.150809D+02  0.132322D+02  0.955605D+01
      5  -0.183370D+01 -0.180171D+01 -0.117632D+02  0.762250D+01  0.110631D+02
      6  -0.306942D+01  0.662478D+01  0.103311D+02 -0.995387D+01 -0.969528D+01
               121           122           123           124           125 
      1   0.399618D+01 -0.968711D+01 -0.584464D+01  0.246358D+01 -0.613384D+01
      2  -0.587280D+01  0.136497D+02  0.447844D+01 -0.633030D+00  0.338981D+01
      3   0.187663D+01 -0.396263D+01  0.136621D+01 -0.183055D+01  0.274403D+01
      4   0.111759D+02 -0.133944D+02 -0.804551D+01  0.861962D+01 -0.845453D+01
      5   0.612861D+01 -0.721166D+01 -0.601807D+01  0.982222D+01 -0.708739D+01
      6  -0.937785D+01  0.146940D+02  0.129518D+02 -0.967022D+01  0.138755D+02
               126           127           128           129           130 
      1  -0.835380D+01 -0.192877D+01 -0.779930D+01 -0.131066D+01 -0.532495D+01
      2  -0.897266D-01  0.832954D+01  0.187896D+02  0.331156D+01  0.126883D+02
      3   0.844352D+01 -0.640077D+01 -0.109903D+02 -0.200091D+01 -0.736339D+01
      4  -0.920237D+01  0.913275D+01  0.152674D+02  0.149020D+01  0.113894D+02
      5  -0.100731D+02  0.560734D+00  0.811252D+00  0.299701D+01  0.813444D-01
      6   0.157500D+02  0.999345D+00  0.290652D+01  0.188070D+01  0.235444D+01
               131           132           133           134           135 
      1  -0.326485D+02 -0.414576D+01 -0.242687D+01 -0.102824D+02 -0.557853D+01
      2   0.631178D+02  0.820304D+01  0.480496D+01  0.191350D+02  0.780703D+01
      3  -0.304693D+02 -0.405728D+01 -0.237809D+01 -0.885256D+01 -0.222850D+01
      4   0.185397D+02  0.324137D+01  0.337264D+01  0.637181D+01  0.269099D+01
      5   0.251886D+01  0.127551D+01  0.249618D+01  0.224253D+01  0.161996D+01
      6   0.739206D+01  0.855576D+01  0.166665D+01  0.112869D+02  0.608198D+01
               136           137           138           139           140 
      1   0.970598D+00  0.720724D+01 -0.483997D+01  0.366290D+01 -0.853300D+01
      2  -0.108952D-01 -0.957650D+01  0.476982D+01 -0.501265D+01  0.130701D+02
      3  -0.959702D+00  0.236926D+01  0.701492D-01  0.134975D+01 -0.453713D+01
      4  -0.110283D+02  0.821205D+01 -0.710373D+01  0.587458D+01 -0.496034D+01
      5   0.767698D+01 -0.270984D+01  0.589997D+01 -0.116703D+01  0.412834D+01
      6  -0.834881D+01  0.101221D+02 -0.106582D+02  0.691159D+01 -0.913356D+01
               141           142           143           144           145 
      1   0.558018D+01 -0.444314D+01  0.999545D+01 -0.105497D+02  0.183456D+01
      2  -0.543687D+01  0.290493D+01 -0.934474D+01  0.353869D+01 -0.583817D+00
      3  -0.143305D+00  0.153822D+01 -0.650704D+00  0.701101D+01 -0.125074D+01
      4   0.498013D+01 -0.800753D+01  0.630707D+01 -0.708872D+01 -0.517891D+00
      5  -0.239764D+01  0.749343D+01 -0.313905D+01  0.560235D+01  0.263946D+01
      6   0.988649D+01 -0.970831D+01  0.155295D+02 -0.201717D+02 -0.217689D+01
               146           147           148           149           150 
      1  -0.258513D+01  0.464930D+01 -0.318201D+01 -0.108561D+02  0.803093D+01
      2   0.164704D+01 -0.235519D+01 -0.121561D+01  0.201147D+02 -0.858026D+01
      3   0.938091D+00 -0.229410D+01  0.439762D+01 -0.925863D+01  0.549334D+00
      4   0.301003D+01 -0.164154D+01  0.118442D+02 -0.260354D+02  0.123067D+02
      5  -0.601914D+00  0.200726D+01 -0.367857D+01  0.135376D+02 -0.146043D+02
      6  -0.127534D+01  0.897046D+00  0.290637D+01 -0.160011D+02  0.142706D+02
               151           152           153           154           155 
      1   0.692844D+01  0.817192D+01 -0.727082D+01  0.635031D+02  0.120765D+02
      2  -0.292456D+01 -0.951742D+01  0.357311D+01 -0.371602D+02 -0.841268D+01
      3  -0.400388D+01  0.134550D+01  0.369771D+01 -0.263429D+02 -0.366381D+01
      4  -0.717055D+01  0.157776D+02 -0.131230D+02  0.365096D+01  0.943425D+01
      5   0.819278D+01 -0.147423D+02  0.143657D+02  0.148181D+02  0.323136D+01
      6  -0.397747D+01  0.153056D+02 -0.138878D+02 -0.886827D+00  0.392236D+00
               156           157           158           159           160 
      1   0.101993D+02  0.303627D+02  0.903348D+01  0.540182D+01  0.139611D+02
      2  -0.746488D+01 -0.180793D+02 -0.518219D+01 -0.464844D+01 -0.979094D+01
      3  -0.273440D+01 -0.122835D+02 -0.385129D+01 -0.753379D+00 -0.417013D+01
      4   0.126462D+01  0.902617D+01  0.992227D+01  0.280106D+01  0.137772D+01
      5   0.119870D+02  0.778846D+01  0.402785D+01  0.506009D+01  0.136708D+02
      6  -0.144102D+01  0.382886D+00  0.469033D+00  0.199191D+01 -0.134825D+01
               161           162           163           164           165 
      1   0.366682D+01  0.735447D+01  0.104433D+02 -0.199320D+01 -0.487027D+01
      2  -0.346279D+01 -0.556212D+01 -0.532981D+01 -0.698721D+00  0.154436D+01
      3  -0.204024D+00 -0.179235D+01 -0.511350D+01  0.269192D+01  0.332591D+01
      4   0.356967D+01 -0.837806D+00 -0.577498D+01  0.656520D+01  0.688120D+01
      5   0.453957D+00  0.603918D+01 -0.683466D+01  0.580529D+01  0.944979D+01
      6   0.323066D+01  0.697725D-01  0.408621D+01 -0.269223D+01 -0.341949D+01
               166           167           168           169           170 
      1  -0.284465D+01 -0.195106D+00  0.205545D+01 -0.129030D+02  0.342730D+01
      2  -0.164349D+01  0.622189D+01  0.146303D+01  0.584403D+01  0.176522D+01
      3   0.448814D+01 -0.602678D+01 -0.351848D+01  0.705901D+01 -0.519252D+01
      4   0.116369D+02 -0.153083D+02 -0.871853D+01  0.147328D+02 -0.148461D+02
      5   0.714898D+01 -0.773968D+01 -0.127444D+02  0.163647D+02 -0.145576D+02
      6  -0.406940D+01  0.621087D+01  0.103158D+02 -0.746237D+01  0.112352D+02
               171           172           173           174           175 
      1   0.167825D+01 -0.761236D+01  0.132916D+01 -0.110760D+02 -0.170903D+00
      2  -0.334257D+01  0.117567D+01  0.180594D+00 -0.291770D+00  0.171212D+01
      3   0.166431D+01  0.643670D+01 -0.150976D+01  0.113677D+02 -0.154122D+01
      4  -0.148551D+02 -0.457069D+01 -0.107942D+01  0.933837D+00  0.213717D+01
      5  -0.285614D+02  0.587033D+01  0.451279D+01 -0.318803D+01  0.292738D+01
      6   0.155036D+02  0.501970D+00  0.480521D+01 -0.666861D+01  0.225495D+01
               176           177           178           179           180 
      1  -0.461450D+01  0.772127D+01 -0.104360D+02  0.757057D+01 -0.238793D+02
      2   0.240729D+01 -0.188172D+01  0.227881D+01 -0.129892D+01 -0.810579D+01
      3   0.220721D+01 -0.583954D+01  0.815715D+01 -0.627165D+01  0.319851D+02
      4   0.306999D+01 -0.181168D+01 -0.166174D+01 -0.288208D+01  0.239619D+01
      5  -0.165899D+01  0.176570D+01  0.406974D+01  0.399597D+01 -0.161861D+02
      6  -0.516633D+01  0.813079D+01 -0.276280D+01  0.910312D+01 -0.151355D+02
               181           182           183           184           185 
      1   0.115464D+02  0.576885D+01 -0.309075D+00  0.892408D+01  0.207863D+01
      2  -0.162377D+01  0.394245D+01  0.949698D+00  0.521066D+01  0.197215D+02
      3  -0.992260D+01 -0.971130D+01 -0.640624D+00 -0.141347D+02 -0.218001D+02
      4   0.122273D+02  0.156736D+02  0.224429D+01  0.224231D+02  0.342353D+02
      5  -0.284776D+01  0.223214D+00  0.303487D+01 -0.164991D+01 -0.176458D+01
      6  -0.107991D+01 -0.302555D+01  0.315281D-01 -0.443178D+01 -0.896407D+01
               186           187           188           189           190 
      1   0.287309D+01  0.451380D+01  0.335882D+01 -0.104539D+01  0.462013D+02
      2   0.188011D+01  0.150305D+00  0.375264D+01  0.176769D+01 -0.311025D+02
      3  -0.475320D+01 -0.466410D+01 -0.711146D+01 -0.722298D+00 -0.150989D+02
      4   0.131707D+01  0.807266D+01  0.902313D+01  0.322776D+01 -0.557573D+01
      5   0.596731D+01  0.162991D+01  0.284517D+01  0.360110D+01 -0.293001D+02
      6   0.479294D+01 -0.553491D-01  0.207742D+01  0.154620D+01  0.319485D+01
               191           192           193           194           195 
      1  -0.102795D+02 -0.128796D+02 -0.220005D+02  0.885031D+01  0.654743D+01
      2   0.873258D+01  0.124105D+02  0.166055D+02 -0.447210D+01 -0.767262D+01
      3   0.154697D+01  0.469108D+00  0.539504D+01 -0.437821D+01  0.112519D+01
      4   0.100227D+02  0.235361D+01  0.105910D+02 -0.806025D+01 -0.275685D+01
      5   0.699816D+01  0.174898D+02  0.169688D+02 -0.663119D+01 -0.123124D+02
      6  -0.456566D+01 -0.141021D+01 -0.437468D+01  0.495583D+01  0.242617D+01
               196           197           198           199           200 
      1  -0.891556D+01  0.285776D+01  0.417140D+01 -0.620442D+01 -0.558388D+01
      2   0.972272D+01 -0.283217D+01 -0.796672D+01  0.293779D+01  0.179027D+01
      3  -0.807154D+00 -0.255940D-01  0.379532D+01  0.326663D+01  0.379361D+01
      4   0.277978D+01 -0.132781D+01 -0.254188D+01 -0.125359D+00  0.148433D+01
      5   0.143198D+02 -0.461313D+01 -0.118083D+02 -0.298621D+01  0.565175D+00
      6  -0.222454D+01  0.246608D+01  0.479240D+00 -0.186921D+01 -0.216355D+01
               201           202           203           204           205 
      1   0.857781D+01 -0.705583D+01 -0.470656D+01  0.784944D+01  0.801245D+01
      2   0.218223D+01  0.378728D+01  0.165383D+01  0.383278D+00 -0.181743D+01
      3  -0.107600D+02  0.326855D+01  0.305273D+01 -0.823272D+01 -0.619502D+01
      4   0.198096D+01  0.442586D+01 -0.296205D+01  0.448925D+01  0.845599D+00
      5  -0.359428D+01 -0.161877D+01  0.388576D+01 -0.508938D+01  0.343372D+01
      6   0.284596D+01 -0.621686D+00 -0.511582D+01  0.760030D+01  0.254822D+01
               206           207           208           209           210 
      1   0.887173D+01 -0.205612D+02  0.417258D+02 -0.159876D+02  0.169629D+00
      2  -0.105610D+01 -0.877519D+01 -0.171561D+02  0.344327D+01 -0.155716D+01
      3  -0.781562D+01  0.293364D+02 -0.245698D+02  0.125443D+02  0.138753D+01
      4   0.455300D+01 -0.482381D+01 -0.240557D+02  0.192446D+02  0.111967D+00
      5  -0.402946D+01  0.153615D+02  0.957295D+01 -0.311617D+01  0.716450D+01
      6   0.787115D+01 -0.959129D+01 -0.517753D+01  0.513402D+01 -0.125717D+01
               211           212           213           214           215 
      1  -0.227397D+02  0.123666D+02  0.142486D+01 -0.103842D+02  0.487257D+01
      2   0.621275D+01  0.425680D+00  0.144099D+01  0.376947D+01 -0.211889D+00
      3   0.165269D+02 -0.127923D+02 -0.286585D+01  0.661478D+01 -0.466068D+01
      4   0.240901D+02 -0.205176D+02  0.158921D+01  0.635884D+01 -0.436050D+01
      5  -0.540106D+01  0.477948D+01 -0.587234D+01  0.373883D+01 -0.250729D+01
      6   0.592499D+01 -0.460763D+01  0.371559D+01 -0.440556D+00  0.176769D+01
               216           217           218           219           220 
      1   0.176944D+01  0.167788D+02  0.632564D+01  0.550109D+01  0.136283D+02
      2  -0.849579D+00 -0.949218D+01 -0.484289D+01 -0.482874D+01 -0.903233D+01
      3  -0.919858D+00 -0.728665D+01 -0.148275D+01 -0.672346D+00 -0.459598D+01
      4  -0.362101D+01  0.950372D+01  0.127551D+02  0.579320D+01  0.177778D+02
      5  -0.260523D+01  0.120541D+02  0.795153D+01  0.857305D+01  0.152832D+02
      6   0.197404D+00  0.473064D+01  0.544039D+01  0.406094D+01  0.844604D+01
               221           222           223           224           225 
      1   0.731122D+01  0.428555D+01  0.433424D+01  0.273990D+01 -0.192623D+00
      2  -0.244184D+01 -0.646177D+01 -0.510983D+01 -0.385553D+01 -0.506427D+01
      3  -0.486938D+01  0.217623D+01  0.775588D+00  0.111562D+01  0.525689D+01
      4   0.210644D+02  0.923682D+01  0.615881D+01  0.611961D+01  0.649161D+01
      5   0.117333D+02  0.145075D+02  0.919106D+01  0.805589D+01  0.108233D+02
      6   0.123808D+02  0.843108D+01  0.482268D+01  0.656144D+01  0.500088D+01
               226           227           228           229           230 
      1   0.193280D+01  0.515431D+00  0.197746D+01 -0.112719D+00 -0.432704D+01
      2  -0.345125D+01 -0.202234D+01  0.239316D+01 -0.547190D+00 -0.329327D+01
      3   0.151845D+01  0.150691D+01 -0.437062D+01  0.659909D+00  0.762032D+01
      4   0.220290D+01  0.266059D+01  0.257723D+00  0.340247D+01 -0.203338D+01
      5  -0.540704D+01 -0.244869D+01  0.497365D+01 -0.395094D+01  0.219222D+01
      6  -0.269681D+01 -0.591503D+00  0.967997D+00 -0.294889D+00 -0.831131D+01
               231           232           233           234           235 
      1   0.844176D+01  0.984122D+00  0.581761D+01 -0.163317D+02  0.821771D+01
      2   0.792405D+01  0.718792D+00  0.552519D+01 -0.174391D+02 -0.593370D+01
      3  -0.163658D+02 -0.170291D+01 -0.113428D+02  0.337708D+02 -0.228400D+01
      4   0.298018D+01 -0.121305D-01  0.172267D+01 -0.200339D+01  0.139781D+02
      5  -0.394248D+01  0.601236D+01 -0.107851D+01  0.604783D+01  0.178241D+02
      6   0.100110D+02  0.165541D+01  0.836101D+01 -0.717680D+01  0.105090D+02
               236           237           238           239           240 
      1   0.750721D+00 -0.197222D+00  0.181346D+00 -0.517087D+01 -0.344617D+01
      2  -0.966167D+00 -0.493932D+01 -0.115193D+00  0.557853D+01 -0.641931D-01
      3   0.215447D+00  0.513654D+01 -0.661535D-01 -0.407663D+00  0.351037D+01
      4   0.119708D+02  0.849917D+01  0.123043D+02  0.133320D+02  0.847104D+01
      5   0.110469D+02  0.150429D+02  0.118353D+02  0.103224D+02  0.101096D+02
      6   0.962162D+01  0.986055D+01  0.104393D+02  0.145855D+02  0.127564D+02
               241           242           243 
      1  -0.162545D+01 -0.260215D+01 -0.465287D+01
      2  -0.295853D+01 -0.119110D+00 -0.504092D+01
      3   0.458398D+01  0.272126D+01  0.969380D+01
      4   0.569471D+01  0.515627D+01  0.606565D+01
      5   0.103223D+02  0.696333D+01  0.115414D+02
      6   0.754017D+01  0.909380D+01  0.962654D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.116025D+01      0.294906D+01      0.983702D+01
   x          0.482446D-01      0.122626D+00      0.409035D+00
   y          0.104100D+01      0.264595D+01      0.882594D+01
   z          0.510078D+00      0.129649D+01      0.432462D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111759D+03      0.165610D+02      0.184266D+02
   aniso      0.162347D+02      0.240573D+01      0.267674D+01
   xx         0.121387D+03      0.179878D+02      0.200141D+02
   yx         0.337563D+00      0.500217D-01      0.556567D-01
   yy         0.111185D+03      0.164759D+02      0.183319D+02
   zx        -0.360708D+00     -0.534514D-01     -0.594727D-01
   zy         0.324921D+00      0.481483D-01      0.535723D-01
   zz         0.102705D+03      0.152193D+02      0.169338D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116429D+03      0.172530D+02      0.191966D+02
   aniso      0.165636D+02      0.245447D+01      0.273097D+01
   xx         0.126109D+03      0.186874D+02      0.207926D+02
   yx         0.164011D+00      0.243040D-01      0.270418D-01
   yy         0.116109D+03      0.172056D+02      0.191438D+02
   zx        -0.482992D+00     -0.715720D-01     -0.796345D-01
   zy         0.700813D+00      0.103850D+00      0.115548D+00
   zz         0.107070D+03      0.158661D+02      0.176534D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.37273059         -0.39284393         -0.14543919
     6          2.56748015          2.28375909          1.08094472
     6          0.04482988         -0.21999586         -1.83706040
     8          0.01351305         -0.13754316         -4.11284856
     6         -2.29178732         -0.13756716         -0.09791152
     6         -0.99941665         -0.17083076          2.54017956
     6          0.37571512          2.34619555          3.03171297
     6          4.73674481         -1.31377568         -1.45017344
     1          2.43759292          3.77861554         -0.33179074
     1          4.40761427          2.46296671          1.99351322
     6         -3.89509641         -2.52047651         -0.52525484
     6         -3.91720947          2.17972346         -0.68424940
     6          1.28076777         -1.92528972          2.08316302
     1         -2.28234483         -0.73311803          4.04964969
     1          1.11140923          2.37128634          4.95683675
     1         -0.83808699          3.99259598          2.82964710
     1          4.47330694         -3.21319829         -2.20875511
     1          6.32952772         -1.35221876         -0.13896163
     1          5.22174688         -0.08076998         -3.02958415
     1         -2.87559879         -4.25264349         -0.07910120
     1         -4.48924920         -2.62448519         -2.49517623
     1         -5.58118633         -2.44807464          0.66265947
     1         -2.84398557          3.93492834         -0.62574479
     1         -5.47351840          2.32845412          0.66386739
     1         -4.71206762          2.00619565         -2.57664805
     1          0.78429932         -3.85578962          1.56845689
     1          2.57389865         -1.98777706          3.68845341

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.116025D+01      0.294906D+01      0.983702D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.116025D+01      0.294906D+01      0.983702D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111759D+03      0.165610D+02      0.184266D+02
   aniso      0.162347D+02      0.240573D+01      0.267674D+01
   xx         0.121362D+03      0.179839D+02      0.200098D+02
   yx        -0.107125D+00     -0.158742D-01     -0.176625D-01
   yy         0.104084D+03      0.154237D+02      0.171611D+02
   zx         0.707298D+00      0.104811D+00      0.116618D+00
   zy         0.315101D+01      0.466931D+00      0.519531D+00
   zz         0.109832D+03      0.162754D+02      0.181088D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116429D+03      0.172530D+02      0.191966D+02
   aniso      0.165636D+02      0.245447D+01      0.273097D+01
   xx         0.126103D+03      0.186865D+02      0.207915D+02
   yx        -0.879813D-01     -0.130375D-01     -0.145062D-01
   yy         0.108259D+03      0.160423D+02      0.178494D+02
   zx         0.481978D+00      0.714218D-01      0.794675D-01
   zy         0.314898D+01      0.466630D+00      0.519196D+00
   zz         0.114927D+03      0.170304D+02      0.189489D+02

 ----------------------------------------------------------------------
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 IT IS UNWORTHY OF EXCELLENT MEN TO LOSE HOURS LIKE SLAVES IN THE LABOR
 OF CALCULATION WHICH COULD BE SAFELY RELEGATED TO ANYONE ELSE
 IF A MACHINE WERE USED.
    -- G.W. VON LEIBNIZ
 Job cpu time:       0 days  9 hours 53 minutes 59.5 seconds.
 Elapsed time:       0 days  0 hours 49 minutes 37.9 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 10 00:02:27 2021.
